Tara Das

Research Areas:

My research interests have been, and continue to be, focused on the first-principle understanding of electronic structures of atomic, molecular, solid-state and biological systems including the aim to explain their spectroscopic (optical, ultraviolet and infrared), magnetic and hyperfine properties. My research group, especially the Ph.D. students, and post-doctoral physicists, are trained to interact closely with experimentalists, using their theoretical predictions of properties of systems to compare with experimental results and in partnership with experimental groups try to attain a proper understanding of the mechanisms and factors that contribute to a variety of properties including magnetic and hyperfine properties, the latter being obtained by experimentalists by a variety of experimental techniques, ranging from laser techniques for atomic properties to various magnetic resonance techniques, including nuclear magnetic and quadrupole resonance and electron paramagnetic resonance, and associated refinements in these, including a variety of double resonance techniques for solid state (including systems of interest in material) and biological systems.

 

Materials about Achievements of Professor T.P.Das and his Students and Collaborators in 2003-2009:

Contents:

1. Publications resulting from Research during 2003-2009
2. Conference Presentations -International and National (March Meeting of American Physical Society, Divisions of Condensed Matter Physics, Materials Science, Chemical Physics, Biological Physics and High Polymer Physics).
3. Grants.
4. Honors and Awards.
5. Related Academic Activities. 
   (a) Series Editor of Elsevier Book Series. 
   (b) Publications and Ph.D. Students.
6. Accomplishments of Ph.D. Students during 2003-2009.
7. Recent Remarkable Achievements of Four of my past Ph.D. Students.

 

1. Publications of Tara Prasad Das from 2003-2009 and Papers Presented during the same period at International Conferences and American Physical Society March Meetings

1. Sixteen (16) Publications in Electronic Structure and Properties of Condensed Matter Systems and Biological Systems in Refereed Journals

2. Nineteen (19) Presentations at International  Conferences in Hyperfine Interactions and Nuclear Quadrupole Interaction and Magnetic Properties of Condensed Matter Systems.

3. Fifty two (52) Presentations at American Physical Society March Meetings in Electronic Structure and Properties of Atomic, Molecular, Condensed Matter and Biological Systems.

Publications from 2003 to 2009

1.  Hemoglobin magnetism in aqueous solution probed by muon spin relaxation and future applications to brain research, Kanetada Nagamine, Koichiro Shimomura, Haruo Miyadera, Yong-Jae Kim, Ralph Hendrik Scheicher, Tara Prasad Das And Jerome Samson Schult, Proceedings of the Japan Academy, Series B Vol. 83 (2007) , No. 4, 120-126.

2.  First Principles Hartree-Fock Cluster Study Of Very Dilute Transition Metal And Rare-Earth Ion Systems In Silicon, R.H. Pink, S.R. Badu, A. Dubey, R.H. Scheicher, J. Jeong, S.R. Byahut, L. Chow, M.B. Huang, And T.P. Das, MAGNETIC MATERIALS: International Conference on Magnetic Materials (ICMM-2007), AIP Conference Proceedings, Volume 1003, pp. 235-244 (2008).

3.  First-principles study of location of Er3#+# ion—relationship to understanding of hyperfine interactions in the optoelectronic erbium–silicon system, Junho Jeong, Sitaram Byahut, R. H. Pink, R. H. Scheicher, M. B. Huang, Lee Chow, D. R. Mishra, M. M. Aryal, N. B. Maharjan, D. D. Paudyal and T. P. Das,Hyperfine Interactions  Volume 178, (2007) 297-302.

4.  Investigation of the hyperfine properties of deoxy-hemoglobin based on its electronic structure obtained by Hartree-Fock-Roothan procedure, K. Ramani Lata, N. Sahoo, Archana Dubey, R. H. Scheicher, S. R. Badu, R. H. Pink, Dip N. Mahato, A. F. Schulte, H. P. Saha, N. B. Maharjan, Lee Chow and T. P. Das, Hyperfine Interactions Volume 181,( 2008 )595-600.

5.  Understanding of nuclear quadrupole interactions of  35Cl,  79Br and  129I and binding energies of solid halogens at first-principles level, M. M. Aryal, D. R. Mishra, D. D. Paudyal, S. Byahut, N. B. Maharjan, N. P. Adhikari, R. H. Scheicher, Junho Jeong, S. R. Badu, R. H. Pink, Lee Chow and T. P. Das, Hyperfine Interactions Volume 176, ( 2007 )  51-57.

6.  First principles study of nuclear quadrupole interactions in the molecular solid BF3 and the nature of binding between the molecules,Dip N. Mahato, R. H. Pink, S. R. Badu, R. H. Scheicher, Archana Dubey, H. P. Saha, Lee Chow, Mahendra K. Mahanti, M. B. Huang and T. P. Das, Hyperfine Interactions Volume 176, Numbers 1-3 / April,( 2007)15-20.

7.  Theory of electronic structure and nuclear quadrupole interactions in the BF3–NH3 complex and methyl derivatives, R. H. Pink, Archana Dubey, Dip N. Mahato, S. R. Badu, R. H. Scheicher, Mahendra K. Mahanti, M. B. Huang, H. P. Saha, Lee Chow and T. P. Das, Hyperfine Interactions Volume 176, Numbers 1-3 / April, (2007) 39-44.

8.  Nuclear quadrupole interactions and electronic structure of BF3#·H2O complex,Archana Dubey, H. P. Saha, R. H. Pink, S. R. Badu, Dip N. Mahato, R. H. Scheicher, Mahendra K. Mahanti, Lee Chow and T. P. Das, Hyperfine Interactions Volume 176, ( 2007) 45-50.

9.  Theoretical investigation of nuclear quadrupole interactions in DNA at first-principles level, Dip N. Mahato, Archana Dubey, R. H. Pink, R. H. Scheicher, S. R. Badu, K. Nagamine, E. Torikai, H. P. Saha, Lee Chow, M. B. Huang and T. P. Das, Hyperfine Interactions Volume 176, Numbers 1-3 / April, 2007 81-86.

10.  First-Principles Study of Muon and Muonium Trapping in the Protein Chain of Cytochrome c, R. H. Scheicher, D. Cammarere, N. Sahoo, T. M. Briere, F. L. Pratt and K. Nagamine) Physica B 326, 30 (2003).

11.  First-Principles Calculation of Electronics Structures and Hyperfine Interactions for Muonium Centers in ZnO, H. Li, T. M. Briere, K. Shimomura, R. Kadono, K. Nishiyama and K. Nagamine, Physica B326, 133 (2003).

12. Magnetic ordering and spin dynamics in the quasi-one-dimensional spin- ½  chains of CuNb2O6 observed by muon spin rotation and relaxation, V. V. Krishnamurthy, K. Nagamine and K. Nishiyama, M. Ishikawa and M. Yamaguchi, I. Watanabe, T. Ishikawa, T. P. Das,  Phys. Rev. B 68, 014401 (2003)

13.  Theory of Trapping of Muon and Muonium and Hyperfine Interactions in the Organic Ferromagnet p-NPNN (b-phase), Junho Jeong, Tina M. Briere, S. Ohira, N. Sahoo, K. Nishiyama and K. Nagamine and T.P. Das, Physica B 326, 563 (2003).

14. Study of Muon Magnetic Hyperfine Interactions and Nuclear Quadrupole Interactions and Easy Axis in the Organic Ferromagnet p-Cl-Ph-CH=N-TEMPO, Junho Jeong, Tina M. Briere, S. Ohira, N. Sahoo, K. Nishiyama and K. Nagamine Physica B 334, 335 (2003).

15. First-principles study of muonium in A- and B-form DNA, R.H. Scheicher, T.P. Das, E. Torikai, F.L. Pratt and K. Nagamine, Physica B 374–375 (2006) 448–450.

16. Ab initio calculations on nuclear quadrupole interactions of  69,71Ga and 14N nuclei in GaN of ionic crystal, Junho Jeong, S.H. Choh, N. Sahoo,  T.P. Das, Physica B 403 (2008) 2225–2229,

 

2. Conference Presentations from 2003-2009

ICMM (International Conference on Magnetic Materials)

2007

1. First Principles Hartree-Fock Cluster Study Of Very Dilute Transition Metal And Rare-Earth Ion Systems In Silicon, R.H. Pink, S.R. Badu, A. Dubey, R.H. Scheicher, J. Jeong, S.R. Byahut, L. Chow, M.B. Huang, and T.P. Das, Magnetic Materials: Proceedings of the International Conference on Magnetic Materials (ICMM-2007), Invited talk at Calcutta (India) Saha Institute of Nuclear Physics December, 2007

HFI / NQI (Hyperfine Interaactions and Nuclear Quadrupole Interactions) Iguwasa falls, Border of Argentina and Brazil, Joint iInternational Conference 14th for HFI and 18th for NQI

2007

2. “Theory of Electronic Structure and Nuclear Quadrupole Interactions in the BF3-NH3 Complex and Methyl Derivatives”, Hyperfine Interactions 2007,R. H. Pink, Archana Dubey, Dip N. Mahato, S. R. Badu, R. H. Scheicher, Mahendra K. Mahanti, M. B. Huang, H. P. Saha, Lee Chow and T. P. Das.

3. “First principles study of nuclear quadrupole interactions in the molecular solid BF3 and the nature of binding between the molecules”,Hyperfine Interactions 2007, Dip N. Mahato, R. H. Pink, S. R. Badu, R. H. Scheicher, Archana Dubey, H. P. Saha, Lee Chow, Mahendra K. Mahanti, M. B. Huang and T. P. Das.

4. “Understanding of nuclear quadrupole interactions of 35 Cl, 79 Br and 129 I and binding energies of solid halogens at first-principles level” Hyperfine Interactions 2007, M. M. Aryal, D. R. Mishra, D. D. Paudyal, S. Byahut, N. B. Maharjan, N. P. Adhikari, R. H. Scheicher, Junho Jeong, S. R. Badu, R. H. Pink, Lee Chow and T. P. Das.

5. “Nuclear quadrupole interactions and electronic structure of BF3#·H2O complex”Hyperfine Interactions 2007, Archana Dubey, H. P. Saha, R. H. Pink, S. R. Badu, Dip N. Mahato, R. H. Scheicher, Mahendra K. Mahanti, Lee Chow and T. P. Das,

6. “Investigation of the hyperfine properties of deoxyhemoglobin based on its electronic structure obtained by Hartree-Fock-Roothan procedure” Hyperfine Interactions 2007, K. Ramani Lata, N. Sahoo, Archana Dubey, R. H. Scheicher, S. R. Badu, R. H. Pink, Dip N. Mahato, A. F. Schulte, H. P. Saha, N. B. Maharjan, Lee Chow and T. P. Das.

7. “Theoretical investigation of nuclear quadrupole interactions in DNA at first-principles level” Hyperfine Interactions 2007, Dip N. Mahato, Archana Dubey, R. H. Pink, R. H. Scheicher, S. R. Badu, K. Nagamine, E. Torikai, H. P. Saha, Lee Chow, M. B. Huang and T. P. Das.

8. “First-principles study of location of Er3#+#ion - relationship to understanding of hyperfine interactions in the optoelectronic erbium-silicon system”, Hyperfine Interactions 2007, Junho Jeong, Sitaram Byahut, R. H. Pink, R. H. Scheicher, M. B. Huang, Lee Chow, D. R. Mishra, M. M. Aryal, N. B. Maharjan, D. D. Paudyal and T. P. Das.

2004

    13th International Conference on Hyperfine Interaction and Nuclear Quadrupole Interaction, at Bonn, Germany, Aug. 23-27, 2004.

  9. "Ab initio Study of Nuclear Quadrupole Interactions in Selenium and Tellurium",  Hyperfine Interactions 2003,N. B. Maharjan, D. D. Paudyal, D. R. Mishra, S. P. Byahut, Hwa-Suck Cho, R. H. Scheicher, Junho Jeong, T. P. Das.

 10. "Theory of Binding and Nuclear Quardrupole Interactions of Halogen Molecules in Solid Hydrogen", Hyperfine Interactions 2003, M. M. Aryal, D. R. Mishra, D. D. Paudyal, S. P. Byahut, R. H. Scheicher, J. Jeong, and T. P. Das.

 11. "Differences in Muon and Muonium Trapping in A- and B-form DNA and in Individual Nucleic Acids: an ab initio study" Hyperfine Interactions 2003, R. H. Scheicher, E. Torikai, F. L. Pratt, K. Nagamine, and T. P. Das.

 12. "Investigation of Nuclear Quadrupole Interaction of 69Ga Nucleus in Gallium Nitride by First Principles Hartree-Fock Cluster Procedure",Hyperfine Interactions 2003, D. D. Paudyal, S. Byahut, M. M. Aryal, S. H. Choh, J. Jeong, R. H. Scheicher, and T. P. Das.

 13.   "Study of Structure and Hyperfine Properties of Gd3+ liganded with H2O Molecules in Aqueous Solution using First-Principles Hartree-Fock Cluster Procedure", Hyperfine Interactions 2003, C. Gaire, K. R. Lata, R. H. Scheicher, J. Jeong, T. P. Das, S. P. Byahut, D. D. Paudyal, M. M. Aryal, and D. R. Mishra.

14  "First-Principles Cluster Investigation of Location for Erbium in Silicon without Co-dopants and Associated Hyperfine Interactions", Hyperfine Interactions 2003, J. Jeong, R. H. Scheicher, N. Sahoo, M. B. Huang, T. P. Das, S. P. Byahut, D. R. Mishra, M. M. Aryal, N. B. Maharjan, D. D. Paudyal.

 15  "Theoretical Interpretation of the Experimentally Observed Muon Spin Rotation Results in Antiferromagnetic Manganese Oxide",Hyperfine Interactions 2003, G. Gowri, N. Sahoo, T. P. Das, S. Ohira, K. Nishiyama, W. Higemoto, K. Nagamine.

 16   "Explanation of Unusual Features of Hyperfine Field in Antiferromagnetic Nickel Oxide Probed by Muon", Hyperfine Interactions 2003, G. Gowri, T. Briere, N. Sahoo, T. P. Das, K. Nishiyama, W. Higemoto, K. Nagamine.

 17  "First-Principles Investigation of 47,49Ti and 17O Nuclear Quadrupole Interactions in the Rutile and Anatase Phases of TiO2", Hyperfine Interactions 2003, S. P. Byahut, S. Srinivas, L. Chow, J. Jeong, R. H. Scheicher, and T. P. Das.

 18 "First-Principles Investigation of Electronic Structure and Hyperfine Properties of Nitrosylhemoglobin",Hyperfine Interactions 2003, M. Pujari, T. P. Das, and N. Sahoo.

  19 "Influence of Reconstruction on Electron Distribution at Silicon <111> Surface: Effect on Nuclear Quadrupole Interactions Associated with Indium Adatoms", Hyperfine Interactions 2003, R. Pati, N. Sahoo, B. N. Dev, G. Schatz, and T. P. Das.

 APS Meetings

2009

American Physical Society March Meeting (Pittsburg, Pennsylvania)

1. “Study of Charge and Spin Distribution Properties in Five Liganded Halogen-Heme Systems” Archana Dubey, Minakhi Pujari, K. Ramani Lata, Alyssa Garcia, A.F. Schulte, S.R. Badu, R.H. Pink, R.H. Scheicher, T.P. Das.

2.  “First Principles Study of Nuclear Quadrupole Interactions in Single and Double Chained DNA and Solid Nucleobases” T.P. Das, R.H. Pink, S.R. Badu, Archana Dubey, R.H. Scheicher, H.P. Saha, Lee Chow, M.B. Huang.

3.  “First Principles Study of Muonium Trapping and Associated Magnetic Hyperfine Interactions in Nucleobases in Single and Double Chained DNA and Solid Nucleobases” S.R. Badu, R.H. Pink, Archana Dubey, R.H. Scheicher, H.P. Saha, K. Nagamine, E. Torikai, Lee Chow, M.B. Huang, T.P. Das.

4.  “First Principles Hartree Fock Study of Locations and Hyperfine Interactions of Transition Metal Impurities in Silicon” R.H. Pink, S.R. Badu, Archana Dubey, R.H. Scheicher, Lee Chow, M.B. Huang, T.P. Das.

5.  “Understanding of Nuclear Quadrupole Interaction of 19F* and Binding Energies of Solid Fluorine at the First Principles Level” D.R. Mishra, M.M. Aryal, Tu, Kirtipur, N.P. Adhikari, Tu, S.R. Badu, R.H. Pink, R.H. Scheicher, Lee Chow, T.P. Das.

6.  “Test of Current Variational Procedures for Electronic Structures and Properties of Molecular and Solid State Systems by Application to Atomic Systems H- Ion” Hari Paudel, Archana Dubey, R.H. Scheicher, S.R. Badu, R.H. Pink, T.P. Das.

2008

American Physical Society March Meeting (NewOrleans, Louisiana)

7.  “Location and Magnetic Hyperfine Properties of Mn2+ in Silicon. R.H. Pink”, Archana Dubey , S.R. Badu , R.H. Scheicher , M.B. Huang , Lee Chow , T.P. Das

8.  “Electronic Structure and the Magnetic Hyperfine Interactions in Heme Unit of Metmyoglobin”,.B. Maharjan , S.R. Badu , Archana Dubey , R.H. Scheicher , R.H. Pink , Lee Chow , A. Schulte , H.P. Saha , T.P. Das 

9.  “Hartree-Fock Investigation of Electronic Structure and Associated Properties of Heme Unit in Deoxyhemoglobin”, S.R. Badu , Archana Dubey , K. Ramani Lata , R.H. Scheicher , R.H. Pink , A. Schulte , Lee Chow , H.P. Saha , K. Nagamine , T.P. Das 

10.  “The Electronic Investigation of Singlet andTriplet States of Oxyhemoglobin by Hartree-Fock Procedure and Associated Hyperfine Interaction”. Archana Dubey , S.R. Badu , R.H. Scheicher , N. Sahoo , R.H. Pink , A. Schulte , H.P. Saha , Lee Chow , K. Nagamine, T.P. Das

11.  “Hartree-Fock Cluster Study of Electronic Structures and Nuclear Quadrupole Interactions in Solid Nucleobases”,  R.H. Scheicher , Archana Dubey , S.R. Badu , H.P. Saha , R.H. Pink , K. Nagamine , E. Torikai , Lee Chow , T.P. Das

12.  “Nuclear Quadrupole Interaction Study as a Probe of Interaction between Nucleobases and Suger Rings and Phosphate Groups in DNA”; T.P. Das , Archana Dubey , R.H. Scheicher , S.R. Badu , R.H. Pink , K. Nagamine , E. Torikai , H.P. Saha , Lee Chow , M.B. Huang 
 

2007

American Physical Society March Meeting (Denver, Colorado)

13.  “Study of Electronic Structures of Nucleobases and Associated Nuclear Quandrupole Interactions for 14N, 17O and 2H in A-DNA and B-DNA”;  R.H. Scheicher, Dip N. Mahato, R.H. Pink, M.B. Huang, T.P. Das, Archana Dubey, H.P. Saha, Lee Chow.

14.  “Hartree-Fock study of the Heme Unit of deoxy-hemoglobin for Hyperfine Interactions and Vibrational Properties” T.P. Das,   K. Ramani Lata, R.H. Pink, Dip N. Mahato, Archana Dubey, H.P. Saha, A.F. Schulte, Lee Chow, R.H. Scheicher, N.B. Maharjan, N. Sahu.

15.  “Investigation of Bonding in the BF3·H2O Complex”; Archana Dubey, H.P. Saha, Lee Chow, R.H. Pink, Dip N. Mahato, M.B. Huang, T.P. Das, R.H. Scheicher, Mahendra K. Mahanti

16.  “First-Principles Study of the Nature of Binding in BF3 Molecular Solids”; Dip N. Mahato, R.H. Pink, M.B. Huang, T.P. Das, Archana Dubey, Lee Chow, Mahendra K. Mahanti, R. H. Scheicher

17.  “First-Principles Study of Er Location in Er-Si Systems with Oxygen Co-Dopants”; R.H. Pink, Junho Jeong, Dip N. Mahato, M.B. Huang, T.P. Das,  R.H. Scheicher, Sitaram Byahut.

2006

American Physical Society March Meeting (Baltimore, Maryland)

18.  “Theory of Electronic Structure and Nuclear Quadrupole Interactions in the BF3-NH3Complex” APS March Meeting 2006, R.H. Pink, Dip N. Mahato, M.B. Huang, T.P. Das, Archana Dubey, Lee Chow, Mahendra K. Mahanti, Nehu Shillong, R.H. Scheicher

19.  “Study of Trapping Sites for Beryllium Atom in C60 –Fullerene and Electron Capture for 7Be Nucleus” APS March Meeting 2006, Lee Chow, Archana Dubey, Gary S. Collins, R.H. Scheicher, R.H. Pink, Dip N. Mahato, T.P. Das

20.  “Electron Distributions in Pure TiO2 Anatase Phase and with Hydrogen Impurities” APS March Meeting 2006, S. Byahut, Sudha Srinivas, Lee Chow, R.H. Scheicher, Junho Jeong, R.H. Pink, T.P. Das

21.  “Theory of Nuclear Quadrupole Interaction in Trifluoro-Aminoboranes [BF3-NH3-X(CH3)X]”  APS March Meeting 2006, Mahendra K. Mahanti, Nehu Shillong, Archana Dubey, H.P. Saha, Lee Chow, R.H. Scheicher, R.H. Pink, Dip N. Mahato, M.B. Huang, T.P. Das.

22.  “Electron Distribution in Solid BF3 and BF3-NH3 – Associated Nuclear Quadrupole Interactions” APS March Meeting 2006, Dip N. Mahato, R.H. Pink, M.B. Huang, T.P. Das, Archana Dubey, Lee Chow, Mahendra K. Mahanti, Nehu Shillong, R.H. Scheicher

23.  “Unrestricted Hartree-Fock Investigation of the Electron Distribution on the Heme System in Azidohemoglobin- 57Fe and 14N Hyperfine Interactions” APS March Meeting 2006, Archana Dubey, H.P. Saha, Lee Chow, R.H. Scheicher, N. Sahoo, R.H. Pink, Dip N. Mahato, M.B. Huang, T.P. Das

2005

American Physical Society March Meeting (Los Angeles, California)

24.   “First-principles Study of Muon and Muonium in A-and B-form DNA ”, Torikai, R.H. Scheicher, T.P. Das, F.L. Pratt, K. Nagamine.

25.  Electronic Structure of Pure Selenium and TelluriumChains and Selenium Rings and with Impurities  N. B. Maharjan, D.D. Paudyal, D. R. Mishra, S. Byahut, Hwa-Suck Cho , R. H. Scheicher, Junho Jeong, T. P. Das.

26.  Study of Binding Energies of Halogen Molecules inSolid State, M.M. Aryal, D.R. Mishra, D.D. Paudyal, S.Byahut, N.B. Maharjan, R.H. Scheicher, Junho Jeong,T.P. Das

27.  First Principles Investigation of 47Ti and 17O NuclearQuadrupole Interactions in the Rutile and Anatase Phases ofTiO2, S. Byahut, Sudha Srinivas, Lee Chow, Junho Jeong, R. H.Scheicher, T. P. Das

28.  First-Principles Hartree-Fock Investigation of Elec-tronic Structure and Hyper¯ne Properties of Deoxyhemoglobin K. Ramani Lata, R. H. Scheicher, N. Sahoo, T. P. Das, S.Byahut.

29.  First-Principles Hartree-Fock-Roothaan Study of Ground State of Ozone including Many-Body Effects Shekhar Gurung, M.M. Aryal, D.D. Paudyal,D.R. Mishra, N.B. Maharjan, B. Dhakal, R.H. Scheicher, Junho Jeong, T.P. Das.

30.  Hartree-Fock Cluster Investigation of Locations for Er-bium in Silicon1 Junho Jeong, R.H. Scheicher, N. Sahoo, M.B. Huang, T.P. Das, Lee Chow,S. Byahut, D.R. Mishra, M.M. Aryal, N.B. Maharjan, D.D.Paudyal.

2004

     Annual Meeting of the American Physical Society, at Montreal, Canada, March 22-26, 2004 (Divisions of Condensed Matter Physics, Materials Physics, Chemical Physics, and Biological Physics)

31.   "First-Principles Investigation of Binding and Nuclear Quadrupole Interactions of Halogen Molecules in Solid Halogens." M. M. Aryal, D. R. Mishra, D. D. Paudyal, S. P. Byahut, R. H. Scheicher, Junho Jeong, C. Gaire, T. P. Das.

32. "First-Principles Cluster Investigation of Nuclear Quadrupole Interactions of 69,71Ga and 17N Nuclei in Gallium Nitride" D. D. Paudyal, S. P. Byahut, M. M. Aryal, , S. H. Choh, Junho Jeong, R. H. Scheicher, T. P. Das.

33.  "Ab initio Study of Nuclear Quadrupole Interactions in Selenium and Tellurium" N. B. Maharjan, D.D. Paudyal, D. R. Mishra, S. P. Byahut, Hwa-Suck Cho , R. H. Scheicher, Junho Jeong, T. P. Das.

34 "Hartree-Fock Cluster Investigation of Trapping sites of Muon and Muonium and Hyperfine Interactions in the Organic Ferromagnet p-NPNN (b-phase)". Junho Jeong, T. P. Das, N. Sahoo, T. M. Briere, S. Ohira, K. Nishiyama, K. Nagamine.  

 35. "First-Principles Cluster Investigation of Locations for Erbium in Silicon without Co-dopants" T. P. Das, Junho Jeong, R. H. Scheicher, C. Gaire, N. Sahoo, M. B. Huang, S. P.  Byahut, D. R. Mishra, M. M. Aryal, N. B. Maharjan, D. D. Paudyal.

36. "Differences in Muon and Muonium Trapping in A- and B-form DNA and in Idividual Nucleic Acids: an initio study" E. Torikai, R. H. Scheicher, T. P. Das,F.L.Pratt, K. Nagamine.

37.  "First Principles Hartree Fock Investigation of Electronic Structure and Hyperfine Properties of Nitrosylhemoglobin" Minakhi Pujari, T. P. Das, N. Sahoo.

38.  "Study of Electronic Structure and Geometry of Gd3+ liganded with H2O molecules in Aqueous Solution using First Principles Hartree Fock Cluster Procedure" C. Gaire, K. R. Lata, R.H. Scheicher, Junho Jeong, T. P. Das,  S. P. Byahut, D. D. Paudyal, M. M. Aryal, D. R. Mishra.

39.  "First Principles Investigation of Electronic Structure and 47,49Ti and 17O Nuclear Quadrupole Interactions in the Rutile and Anatase of TiO2." S. P. Byahut,  Sudha Srinivas, L. Chow, Junho Jeong, R. H. Scheicher, C. Gaire, T. P. Das.

40.  "Ab initio Study of Helium Entities(He+, He0, (He-H+) as impurites in solid hydrogen" R. H. Scheicher, T. P. Das , K. Ishida, T. Matsuzaki , S. N. Nakamura , N. Kawamura.

2003

Annual Meeting of the American Physical Society, at Austin, Texas, USA, 3 March - 7 March 2003 (Divisions of Condensed Matter Physics, Materials Physics, Chemical Physics, and Biological Physics)

41.  "Improvements in first-principles Hartree-Fock Investigation of the Origin of Muon Spin Rotation Frequency in the Ferromagnet b-Phase para Nitrophenyl Nitronyl Nitroxide (p-NPNN)", T. M. Briere (Institute of Materials Research, Tohoku University, Aoba-ku, Sendai, Japan), Junho Jeong, N. Sahoo, T. P. Das (Dept. of Physics, SUNY at Albany, Albany NY), S. Ohira (Muon Science Laboratory, RIKEN, Wako-shi, Saitama, Japan), K. Nishiyama, K. Nagamine (KEK-MSL, Tsukuba, Ibaraki, Japan)

42.  "Ab initio Studies on Muonium Adducts of DNA and of Individual Nucleic Acid Molecules", E. Torikai (Yamanashi University, Kofu, Japan; RIKEN, Wako-shi, Japan), R. H. Scheicher, T. P. Das (State University of New York at Albany, Albany NY), F. L. Pratt (ISIS Facility, Rutherford Appleton Laboratory, Chilton, Didcot, UK), K. Nagamine (KEK-MSL, Tsukuba, Japan; RIKEN)

43.  "Ab initio Study of He+ Impurities in Solid Hydrogen: Nucleation and Diffusion Barriers", R. H. Scheicher, T. P. Das (State University of New York at Albany, Albany NY), K. Ishida, T. Matsuzaki, S. N. Nakamura, N. Kawamura (RIKEN, Wako-shi, Japan), K. Nagamine (KEK-MSL, Tsukuba, Japan; RIKEN) 

44.  "Electronic Structure and Ground State Properties of Ozone Molecule", Sekhar Gurung, M. M. Aryal, D. D. Paudyal, B. Dhakal (Department of Physics, Tribhuvan University, Kathmandu, Nepal), R. H. Scheicher, Junho Jeong, T. P. Das (Department of Physics, State University of New York at Albany)

45.  "First-principles calculation of electronic structures and hyperfine interactions for muonium centers in ZnO", K. Shimomura, R. Kadono, K. Nishiyama, K. Nagamine (KEK-MSL, Tsukuba, Japan), H. Li (Dept. of Physics and Astronomy, Michigan State University), T. M. Briere (Institute for Materials Research, Tohoku University, Sendai, Japan), T. P. Das (Dept. of Physics, State University of New York at Albany)

46.  "Hartree-Fock Cluster Investigation of Locations for Erbium in Silicon", T. P. Das, C. Gaire, Junho Jeong, R. H. Scheicher, N. Sahoo, M. B. Huang (Dept of Physics, SUNY at Albany, NY), S. P. Byahut, D. R. Mishra, M. M. Aryal, N. B. Maharjan, D. D. Paudyal (Dept of Physics, Tribhuvan University, Kirtipur, Kathmandu, Nepal 

47.  "Contribution from Magnetic Dipole-Dipole Interaction to the Curie Temperature in the Organic Ferromagnet para-Chlorobenzene-TEMPO", Junho Jeong, N. Sahoo, T. P. Das (Department of Physics, SUNY at Albany, Albany NY), T. M. Briere (Institute of Materials Research, Tohoku University, Aoba-ku, Sendai, Japan), S. Ohira (Muon Science Laboratory, RIKEN, Wako-shi, Saitama, Japan), K. Nishiyama, K. Nagamine (KEK-MSL, Tsukuba, Ibaraki, Japan)

48.  "Theory of Nuclear Quadrupole Interaction of35Cl Nuclei in Solid Chlorine", M. M. Aryal, D. R. Mishra, S. P. Byahut, D. D. Paudyal (Dept of Physics, Tribhuvan University, Kirtipur, Kathmandu, Nepal), R. H. Scheicher, Junho Jeong, C. Gaire, T. P. Das (Dept of Physics, SUNY at Albany, NY)

49.  "Theory of Electronic Structures of Selenium and Tellurium Chains with and without Impurities", Hwa-Suck Cho (Dept. of Physics, Yeung-Nam University, Taegu, S. Korea), R. H. Scheicher, Junho Jeong, T. P. Das (Department of Physics, State University of New York at Albany), D. D. Paudyal, N. B. Maharjan, D. R. Mishra, S. P. Byahut (Department of Physics, Tribhuvan University, Kirtipur, Kathmandu, Nepal)

50.  "Investigation of Hydrogen Centers in TiO2Anatase Phase", S. P. Byahut (Dept. of Physics, Tribhuvan University, Kathmandu, Nepal), S. Kurita (Dept. of Physics, Yokohama National University, Yokohama, Japan), L. Chow (Dept. of Physics, University of Central Florida, Orlando), C. Gaire, Junho Jeong, R. H. Scheicher, T. P. Das (Dept. of Physics, SUNY at Albany)

51.  "Investigation of Binding Energy of Chlorine Molecule in Solid Chlorine", D. R. Mishra, M. M. Aryal, D. D. Paudyal, S. P. Byahut (Dept of Physics, Tribhuvan University, Kirtipur, Kathmandu, Nepal), R. H. Scheicher, Junho Jeong, C. Gaire, T. P. Das (Dept of Physics, SUNY at Albany, NY)

52.  "Theory of Electronic and Geometric Structures and Nuclear Magnetic Resonance Relaxation Properties for Gd3+ in Aqueous Solution", C. Gaire, K. Ramani Lata, R. H. Scheicher, Junho Jeong, N. Sahoo, T. P. Das (Dept of Physics, SUNY at Albany, NY), S. P. Byahut, D. D. Paudyal, M. M. Aryal, D. R. Mishra (Dept of Physics, Tribhuvan University, Kirtipur, Kathmandu, Nepal.)

 

3. Grants

1. NSF International US-Nepal Collaborative Grant 2000-2006 $ 50,000.

2. NIH Stimulus Grant Application “Experimental and Theoretical students of Oxyhemoglobin for Advanced Brain Imaging with Muon Spin Probes” Jointly with University of California at Riverside with Professor K. Nagamine as Principal Investigator on the Experimental side at UCR and Professor T.P. Das Principal Investigator on the Theoretical side at University at Albany (SUNY).SUNY Component of the Budget for Two years: $ 472,744.

 

4. Honors and Awards

1. Mentor for Professor Archana Dubey at Physics Department of University of Central Florida who won the Hildred Blewett scholarship in 2007 for $ 45,000 from American Physical Society.

2. Nuclear Quadrupole Interactions (NQI) Award [2004] from the International Committee of NQI for outstanding achievements in the understanding of spectroscopic, magnetic and hyperfine properties of atomic, molecular, solid state and biological systems using first principles understanding of their electronic structures and for his work as an unique example of close interaction of a strong theory group with several active experimental groups from different countries.

3. Have hosted two Fulbright Senior Scholars from Tribhuvan University,Nepal in 2003 and 2007-2008, Professor Sitaram Byahut and Professor Nanda Bahadur Maharjan. They are the only two Fulbright Scholars who have been in our Physics Department at SUNY Albany in its entire history.

4. Award from Orissa Society of the Americas (July 2009), in recognition for Contributions as a Distinguished Academician and Support of Oriya Scholars on the occasion of Forty Years of the Society.

In addition, Professor T.P. Das has received: (a) the US. Senior Scientists' Award from the von Humboldt Stiftung of Germany twice. Once in 1977 for Collaborative Research with the Physical Chemistry Department of Technische Hochschule Darmstadt and in 1981 for Collaborative Research with the Atomic Physics Department of University of Mainz [the first      US Senior Scientist Awardee from SUNY Albany]

(b) Award from Yamada Foundation of Japan for Collaborative Research with University of Tokyo on Muon Spin Rotation in Condensed Matter Systems (1986)

(c) Eminent Scientist of RIKEN (Institute of Physical and Chemical Research, Wako-Shi, Japan) in 1996. This was the first Award made for the Eminent Scientist Program started in 1996 in RIKEN, Japan.

(d) Monbusho Senior Visiting Scientist Award (from Ministry of Education, Research and Sports in Japan) for Collaborative Research in Muon Science during 1999 Fall Semester Sabbatical Leave from SUNY Albany.

(e) Jawaharlal Nehru Visiting Chair in University of Hyderabad, India in 1995 Summer.

(f) Felicitations from Orissa Physical Society (OPS) in February 2000 for Contributions to the Cause of Physics and the Physics Fraternity in OPS.

(g) Excellence in Research Award in 1985 from SUNY at Albany.

(h) Elected as Fellow of American Physical Society in 1968.

 

5. Related Academic Activities

Elsevier Press: Series Editor of Book Series on “Science and Technology of Atomic, Molecular, Condensed Matter and Biological Systems” since 2004 October.

Have had my Authors sign Contracts to publish with Elsevier Press for Five(5) Books on Luminescence, High Pressure Structural Phase Transitions, Surface Physics, Clusters-Bridges Across Disciplines, and Nano Magnetic Materials in Biology and Medicine.

Two other Books are in the process of Authors being considered for publishing, one on Advanced Functional Materials, and the other on Spectroscopic Detection of Contraband Materials.

Total Publications  Professor Das has had total publication in Refereed Journals of about four hundred  (400), review articles numbering 10, and three Books, on: (a) Nuclear Quadrupole Resonance Spectroscopy (1957) (Academic Press) (b) Nuclear Induction (1957) (Saha Institute Press) and (c) Relativistic Quantum Mechanics of Electrons (1973)  (Harper and Row).

Total Number of Ph.D. Degree Students  53 (when the two present Ph.D. students are expected to receive their degrees in Spring 2010)

 

6. Accomplishments of Ph.D. Students During 2003-2009

Current Ph.D. Students:

1. Mr. Shyam Raj Badu

            Mr. Badu has successfully completed all the requirements for his Ph.D. degree except the submission of his thesis and his thesis defense examination.

            His Ph.D. thesis will be in the field of electronic structures and associated properties of biological systems, specifically DNA and hemoglobin (both deoxy and oxy). When he completes his Ph.D. degree, he will be the fifty-third of my total of 53 students who will have received their degree working with me.

            In the course of his Ph.D. Career he has also taken part in a number of projects in our research group on molecular and condensed matter physics and has also taken part in publications and in presentations at both international and national conferences in both his Ph.D. thesis field and other subjects which will now be listed. We will now quote these by the # s in my Publication and Conference Presentation lists, referred to as Pub. # and Conf. #

Publications:

Pub. #s 2, 4, 5, 6, 7, 8, 9 [Seven in all]

Conference Presentations

International Conferences Conf. #s. 1, 2, 3, 4, 5, 6, 7, (Seven in Total)

APS March Meetings Conf. #s 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, ( 12 in Total)

Awards

1. C.L. Andrews Teaching Assistant of the Year Award (2007)

2. Royal Nepal Academy of Science and Technology Award (Grant) (2002-03-04)

2. Mr. Roger Pink

            Mr. Pink has successfully completed all the requirements for his Ph.D. degree except the submission of his thesis and thesis defense examination

            His Ph.D. thesis will be in the field of electronic aspects of the origin and hyperfine properties of magnetic semiconductors involving transition metal atoms and ions, manganese, chromium and vanadium. When he completes his Ph.D. thesis, Mr. Pink will be fifty-second in the list of 53 students who will have worked under my supervision.

            However, in course of his Ph.D. career, he has taken part in a number of projects in our research group in molecular and biological physics and taken part in presentations in these fields. We shall now quote these by the numbers in my publication and conference presentation lists, referred to as pub # and conf #.                  

 Publications

Pub #s, 2, 3, 4, 5, 6, 7, 8, 9 [Eight in all]

Conference Presentations

International Conferences Conf #s, 1, 2, 3, 4, 5, 6, 7, 8 [Eight in all]

APS March Meetings Conf #s, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15 ,16, 17, 18, 19, 20, 21, 22, 23 [Twenty three in all]

 Promotion

            Mr. Pink was promoted this year to Senior Engineer in his full time job at the computer company GlobalSpec in the Capital District.  He works there full time and comes to work on his Ph.D. research program at SUNY Albany in week day evenings and the week-ends.

Earlier Ph. D. Students (who have received their Ph.D. theses) during the period 2003- 2009

1. Dr. Ralph H. Scheicher Dr. Scheicher finished his Ph.D. thesis under my supervision in May 2004 in the fields of Muon and Muonium interactions in biological systems (DNA and Cytochrome C) and Muon catalyzed fusion involving solid triton and deuteron molecular ions which had a negative Muon taking part in their bonding.

            After receiving his Ph.D. degree, Dr. Scheicher went to the Condensed Matter Physics Theory Group at Uppsala University, Sweden as a Post Doctoral Fellow for the year 2004-2005, and then joined the Physics Department at Michigan Technological University, Houghton, Michigan as a Visiting Assistant Professor for two years, 2005-2007. He is now, since 2007, a Research Scientist in the Condensed Matter Physics Theory group at Uppsala University, Sweden.

            During his career here as a Ph.D. student 2000-2004 and later work with my group he had a number of publications in condensed matter physics and biophysics including muon and muonium interactions in condensed matter and biological systems. His publications during his career as a Ph.D. student in my group and later work with my group are given below in the same notations as for Mr. Badu and Mr. Pink (my current students) as Pub # and Conf # from my Publication list and Conference Presentations list.

Publications 

Pub #s 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 15 (Eleven in all)

Conference Presentations

International Conferences Conf #s 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 17 (Fifteen in all)

APS March Meetings:Conf #s 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13 14, 15, 17, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 35, 36, 38, 39, 40, 42, 43, 44, 46, 48,49, 50, 51, 52. (45 in all)

Awards (during graduate student career)
1. C.L. Andrews Teaching Assistant of the Year Award

2. Division of Chemical Physics Travel Award for Los Angeles Meeting (2005).

Exceptional Achievements by Dr. Scheicher after his graduate career

            I will be remarking about Dr. Scheicher`s many publications in a number of current fields besides the ones with my group after he finished his Ph.D. thesis, when I talk about his unusually strong research profile in remarking on the exceptional achievements by some of my past students.

            Additionally, Dr. Scheicher is a member of the Advisory Board for my Book Series. He is the youngest member, but he has been very valuable for in depth discussions about Books to choose for the Series that would be most valuable for current research developments in Materials Science, NanoScience and Biophysics. He has also provided valuable assistance in the choices of authors for Books in various Fields.

2. Dr. Junho Jeong  Dr. Jeong finished his Ph.D. thesis under my supervision in May 2004 in the field of Muonium interactions in Organic ferromagnets and in the study of location of Er3+ in silicon as well as 69Ga and 14N nuclear quadrupole interactions in GaN.

            He is now on the faculty of a leading University in South Korea,University of Uhlsan, (the headquarters for manufacture of Hyundai motor vehicles). He is active in research in Materials Science but I have not been able to be in close contact with him to say much about his current research interests.

            Regarding his Publications based on his Ph.D. thesis work and Conference Presentations about his research work, I will list his papers and presentation in the same way as I have done for the other three of my Ph.D. students based on my own publication and conference presentation lists.

Publications

Pub # 2, 3, 5, 13, 14, 16 [Six in total]

International Conference Presentations Conf #s 1, 4, 8, 9, 10, 12, 13, 17 [Eight in all]

APS March Meetings Conf #s 17, 20, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 38, 39, 41, 44, 46, 47, 48, 49, 50, 51, 52 [Twenty four in all]

 

7.  Recent Outstanding Achievements of Past Ph.D. students

1. Professor Bhanu Pratap Das:  Professor in Institute of Astrophysics inBangalore, India: Professor B.P. Das did his Ph.D. thesis with me in early 1980’s. His Ph.D. thesis was based on understanding of many-body effects on properties of heavy atoms using first principles relativistic Hartree-Fock theory combined with many-body perturbation theory. He studied magnetic hyperfine interactions in atomic systems and forbidden optical transitions that result from charge and parity violation effects in particle physics. He had worked on thallium and used the strength of the forbidden transitions to make accurate conclusions about the strength of fundamental interactions leading to charge and parity violation effects.

            He has recently predicted electric dipole moments by relativistic many-body theory (involving a procedure somewhat different than what he used for his Ph.D. thesis work) and compared it with it recent measurements for mercury atom. This work has been published in Phys. Rev. Letters, a very prestigious journal of American Physical Society, the same one where he had published his Ph.D. thesis work on Thallium. The recent experimental work and his theoretical work are receiving much attention in the scientific communities in both atomic physics and fundamental particle physics theory.

2. Professor Ranjit Pati:  Associate Professor in Michigan Technological (Michigan Tech) University. He received his Ph.D. degree under my supervision in 1997, working on electronic structure and hyperfine interactions (especially nuclear quadrupole interactions) in molecules involved in drugs and explosives and also on surface adsorbed atoms in semiconductors.

            He has become one of the leading experts in the theory of molecular electronics, especially the molecule- metal terminals. His work has been published in a number of leading journals including Physical Review Letters. His latest work about nine months back on metal-molecule junctions has received wide attention in news publications of recent breakthroughs in materials research. He has a sizable research group in his field at Michigan Tech and has an NSF Career Award Support for his research for the next five years. He is also a member of my Advisory Board for the Elsevier Book Series that I edit and gives me very valuable advice.

3.  Dr. Ralph H. Scheicher:  Research Scientist in Condensed Matter Theory in Uppsala University, Sweden. I have already described his Ph.D. thesis work and continuing active collaboration with my research group and his own substantial research work since leaving SUNY Albany after receiving his Ph.D. thesis degree which extends over many areas of materials science, nanoscience and biophysics. These fields involve interaction between DNA and carbon nanotubes, DNA sequencing using DNA-carbon nanotube interaction, storage of hydrogen (in the field of alternate energy resources) in porous materials and in light-metal hydride systems, metal-insulator transitions and superconducting behavior under pressure in hydrogen-rich materials.

            He is very widely sought after for international collaborations in many countries, including China, Malaysia, South Korea, Brazil and United States. For someone who has received his Ph.D. degree only five years back, the unusually large volume of publications in leading physics journals and interacting so actively with so many leading international groups is truly unusual and a source of great pride for our University and Department.

4. Professor Purusottam Jena:  Distinguished Professor of Physics inVirginia Commonwealth University in Richmond, Virginia. He received his Ph.D. thesis under my supervision from University of California, Riversidein 1970. His work involved study of band structures of metallic systems to understand electronic wave-function dependent properties. He continued on with metallic systems after his Ph.D. work, getting involved in the nature of hydrogen as impurity in metals and also moved on to do pioneering work on structures of metal, and hydrogen atom clusters, a field in which he is a leading authority. He then used his expertise in the two fields to study hydrogen storage in metals and then moved on to lighter systems than metals such as magnesium hydride compounds. He has become a well-known authority on hydrogen storage for use as an alternate energy resource

            In the year 2007-2008 he was appointed as a Jefferson Fellow, a very prestigious position in the US State Department, for providing advice on scientific matters and international scientific interactions. He was the Scientific Advisor for a large International Conference on Alternate Energy Resources organized by the State Department in 2008. He has returned to his Distinguished Professor position at his University but continues to advise the State Department on energy matters and is often designated to attend important International Conferences on Alternate Energy Resources.

            He is also on the Advisory Board for my Book Series, and is Volume Editor for a Book on “Clusters-Bridge across Disciplines” which is expected to be published soon.

            Professor Jena’s recognition as a leading scientist in a number of current fields of research and application interest, and recognition by the Federal Government as a Scientist to seek advice from, is a matter of great pride. He was a post-doctoral scientist in the Physics Department at SUNY Albany for the year 1970-71 immediately after completion of his Ph.D. degree in 1970, one year before I joined the Faculty here.