N. SUKUMAR

BOOK CHAPTERS

1. N. Sukumar and Curt M. Breneman, "QTAIM in Drug Discovery and Protein Modeling" in "The Quantum Theory of Atoms in Molecules: From Solid State to DNA and Drug Design" C.F. Matta & R.J. Boyd, Eds. (Wiley-VCH, 2007)

2. C. Matthew Sundling, N. Sukumar, Hongmei Zhang, Curt M. Breneman and Mark J. Embrechts, "Wavelets in Chemistry and Cheminformatics" in Reviews in Computational Chemistry, Vol. 22, Kenny B. Lipkowitz, Thomas R. Cundari and Valerie J. Gillet (Eds), Wiley-VCH, Hoboken, pp. 295-329 (2006)

3. Curt M. Breneman, Minghu Song, Jinbo Bi, N. Sukumar, Kristin P. Bennett, Steven Cramer and Nihal Tugcu, "Prediction of Protein Retention Times in Anion-exchange Chromatography Systems using Support Vector Regression" in Chemometrics and Chemoinformatics, ACS Symp. Ser. 894, Barry K. Lavine (Ed.), American Chemical Society, pp. 111-125 (2005)

4. Curt M. Breneman and N. Sukumar, "New Developments in Molecular Modeling" in "Yearbook of Science & Technology" (McGraw-Hill, New York, 2004)

5. Curt M. Breneman, Kristin P. Bennett, Mark Embrechts, Steven Cramer, Minghu Song, Jinbo Bi and N. Sukumar, "Descriptor Generation, Selection and Model Building in Quantitative Structure-Property Analysis" in "Experimental Design for Combinatorial and High Throughput Materials Development" James N. Cawse, Ed. (John Wiley, New York, 2002), pp.203-238

6. N. Sukumar "Cellular Automaton Simulation of Solitonic Structures in the Su-Schrieffer-Heeger Hamiltonian" in "New Challenges in Comp. Quantum Chem." R.Broer, P.J.C.Aerts and P.S.Bagus, Eds., Univ.Groningen, The Netherlands, pp. 270-277 (1993)

RESEARCH PUBLICATIONS

1. N. Sukumar, "The Chemist's Concept of Molecular Structure" Foundations of Chemistry, 11 (1), 7-20 (2009). DOI

2. Pankaj Kulshrestha, N. Sukumar, Jane S. Murray, Rossman F. Giese and Troy D. Wood, "Computational Prediction of Antibody Binding Sites on Tetracycline Antibiotics: Electrostatic Potentials and Average Local Ionization Energies on Molecular Surfaces" J. Phys. Chem. A, 113 (4), 756-766 (2009)

3. Charles Bergeron, Theresa Hepburn, Matthew Sundling, Nagamani Sukumar, Bill Katt, Kristin P. Bennett, Curt Breneman, "Prediction of peptide bonding affinity: kernel methods for nonlinear modeling" Protein and Peptide Letters (in press)

4. N. Sukumar, Michael Krein and Curt M. Breneman, "Bio- and Chem-Informatics: Where do the twain meet?" Curr. Opinion Drug Disc. Devel. 11(3) 311-319 (May 2008)

5. Scott Oloff, Shuxing Zhang, Nagamani Sukumar, Curt Breneman and Alexander Tropsha, "Chemometric Analysis of Ligand Receptor Complementarity: Identifying Complementary Ligands Based on Receptor Information (CoLiBRI)" J. Chem. Inf. Model. 46 (2), 844-851 (2006)

6. Minghu Song, Curt M. Breneman and N. Sukumar, "Three-Dimensional Quantitative Structure-Activity Relationship Analyses of Piperidine-based CCR5 Receptor Antagonists" Bioorg. Med. Chem. 12, 489-499 (2004)

7. Curt M. Breneman, C. Matthew Sundling, N. Sukumar, Lingling Shen, William P. Katt and Mark J. Embrechts, "New developments in PEST shape/property hybrid descriptors" J. Computer-Aided Mol. Design 17, 231-240, (2003)

8. Christopher E. Whitehead, Curt M. Breneman, N. Sukumar and M. D. Ryan, "Transferable Atom Equivalent Multi-Centered Multipole Expansion Method" J. Comp. Chem. 24, 512-529 (2003)

9. N. Tugcu, M.H. Song, C.M. Breneman, N. Sukumar, K.P. Bennett, and S.M. Cramer, "Prediction of the effect of mobile-phase salt type on protein retention and selectivity in anion exchange systems" Analytical Chemistry 75, 3563-3572 (2003)

10. Minghu Song, Curt M. Breneman, Jinbo Bi, N. Sukumar, Kristin P. Bennett, Steven Cramer and Nihal Tugcu, "Prediction of Protein Retention Times in Anion-exchange Chromatography Systems using Support Vector Regression" J. Chem. Inf. Comput. Sci. 42, 1347-1357 (2002)

11. Cecilia B. Mazza, Kaushal Rege, Curt M. Breneman, N. Sukumar, Jonathan S. Dordick, Steven M. Cramer, "High-throughput screening and quantitative structure-efficacy relationship models of potential displacer molecules for ion-exchange systems" Biotechnology and Bioengineering 80(1), 60-72(2002)

12. Cecilia B. Mazza, N. Sukumar, Curt M. Breneman and Steven Cramer, "Prediction of Protein Retention in Ion-Exchange Systems Using Molecular Descriptors Obtained from Crystal Structure" Analytical Chemistry 73, 5457-5461 (2001)

13. Chutian Shu, N. Sukumar and C. P. Ursenbach, "Adsorption of O₂ on TiO₂(110): A theoretical study" J. Chem. Phys. 110, 10539-10544 (1999)

14. N. Sukumar and S. D. Peyerimhoff, "Nonadiabatic coupling of the 1A' and 2A' states of Ozone in the vicinity of their conical intersection and construction of Diabatic States" Mol. Phys. 95, 61-70 (1998)

15. P. Raveendran, N. Sukumar and T. K. K. Srinivasan, "Temperature Dependence of Phonon-Assisted Luminescence Intensity in GdTb(MoO₄)₃ Evidence for change in Electron-Lattice Coupling near T_c" Phys. Rev. B 55, 4978-4982 (1997)

16. Harjinder Singh, N. Sukumar and B. M. Deb, "Atom as a Complex System: One- and Two-Dimensional Cellular Automata Simulations" Int. J. Quantum Chem. 60, 21-28 (1996)

17. N. Sukumar "Density Functional Theory of Born Couplings" Int. J. Quantum Chem. 56, 423-432 (1995)

18. Thomas Neuheuser, N. Sukumar and S. D. Peyerimhoff, "Nonadiabatic Coupling of the ¹A" and ²A" States of Ozone" Chem. Phys. 194, 45-64 (1995)

19. N. Sukumar "Comment on `Electron Flow and Electronegativity Equalization in the process of bond formation'" J. Chem. Phys. 100, 5390 (1994)

20. N. Sukumar "Density Functional Theory for Jahn-Teller Systems" Int. J. Quantum Chem. 52, 809-816 (1994)

21. N. Sukumar, Harjinder Singh and B. M. Deb, "Electron Charge and Current Densities, the Geometric Phase and Cellular Automata" Z. Naturforschung 48a, 134-136 (1993)

22. B. M. Deb, Ranbir Singh and N. Sukumar, "A Universal Density Criterion for Correlating the Radii and other Properties of Atoms and Ions" J. Molec. Struct. (Theochem) 259, 121-139 (1992)

23. N. Sukumar and B. M. Deb, "Phase Associated with the Single-Particle Density of Many-Electron Systems" Intl. J. Quantum Chem. 40, 501-510 (1991)

24. Jane S. Murray, Nagamani Sukumar, Shobha Ranganathan and Peter Politzer, "A Computational Analysis of the Electrostatic Potentials and Relative Bond Strengths of Hydrazine and some of its 1,1-Dimethyl Derivatives" Intl. J. Quantum Chem. 38, 611-629 (1990)

25. Peter Politzer and Nagamani Sukumar, "An Examination of some Effects of OH Rotation in Phenol and p-Nitrophenol" J. Molec. Struct. (Theochem) 179, 439-449 (1988)

26. Peter Politzer, Nagamani Sukumar, Keerthi Jayasuriya and Shoba Ranganathan, "Computational Evaluation and Comparison of some Nitramine Properties" J. Amer. Chem. Soc. 110, 3425-3430 (1988)

27. Yongfeng Zhang, Nagamani Sukumar, Jerry L. Whitten and Richard N. Porter, "Ab initio Evaluation of the Born Correction, Born Couplings and Higher Derivative Matrix Elements with Gaussian Lobe Orbitals" J. Chem. Phys. 88, 7662-7670 (1988)

28. Nagamani Sukumar and Gerald A. Segal, "Effect of Aqueous Solvation upon the Electronic Excitation Spectrum of Glycine Zwitterion : A Theoretical CI Study" J. Amer. Chem. Soc. 108, 6880-6884 (1986)

29. Nagamani Sukumar, "Born Couplings in H₂⁺, H₃ and H₃" (Ph.D. Dissertation, State University of New York, Stony Brook, 1984)

Software:

• RECON: Rapid atomic-fragment-based molecular descriptor generation for virtual high throughput screening and drug design (N. Sukumar and Curt Breneman, 2001-2006)
• PEST: Hybrid shape-property descriptors through alignment-free computational ray-tracing (C. Matthew Sundling, Nagamani Sukumar and Curt M. Breneman, 2001-2006)
• DIXEL: Electronic characterization and prediction of DNA transcription factor binding sites (N. Sukumar, Jeffrey G. Martin and Curt M. Breneman, 2001-2006)
• PROTEIN RECON: Rapid fragment-based reconstruction of molecular charge density-derived electronic properties of proteins (N. Sukumar and Curt Breneman, 2001-2006)

CONFERENCE PROCEEDINGS

• N. Sukumar, "Born Couplings in H₃" American Physical Society March Meeting, Las Vegas, NV, Bull. Amer. Phys. Soc. 31, 1083 (1986)

• N. Sukumar, and R. N. Porter "Breakdown of the Born-Oppenheimer approximation in a Jahn-Teller System: Calculation of the Born Coupling terms in H₃" SouthWest Theoretical Chemistry Conference, Rice University, Houston, 1986

• N. Sukumar, "Importance of Electrostatic Considerations in the Study of Intermolecular Interactions" American Physical Society Spring Meeting, Crystal City, VA, Bull. Amer. Phys. Soc. 32, 1085 (1987)

• N. Sukumar, "Investigation of the Polarization of Molecules in an Inhomogeneous Electron Gas Model" 1987 American Conference on Theoretical Chemistry, Gull Lake, MN, J. Phys. Chem. (microfiche suppl. 1987)

• N. Sukumar, "Gauge Fields, Fibre Bundles and Diagrams for Radiationless Nonadiabatic Processes" Indian Academy of Sciences Discussion Meeting on Trends in Theoretical Chemistry, Indian Institute of Technology, Madras, 1990, Proc. Ind. Acad. Sci. (Chem. Sci.) 1992

• N. Sukumar, "A `Radiative' Theory for Radiationless Nonadiabatic Phenomena" University of Madras Seminar on Photochemistry, Laser Chemistry and Photobiology: Fundamentals and Applications, 1991

• N. Sukumar, Harjinder Singh and B. M. Deb, "One-Dimensional Toy Models for the Electron Densities in Disordered Systems using Stochastic Cellular Automaton Rules" Proceedings of the International Conference on Disordered Materials (Structure and Properties), Ed. S.K. Srivastava, D. A. University, Indore, India, 1991

• N. Sukumar and D. Magesh, "Cellular Automaton Simulation of a Quasi-1-D Polymer" One-Day Symposium on Mathematical Methods and Applications, Indian Institute Of Technology, Madras, 1992

• N. Sukumar, "Cellular Automata in Computational Quantum Chemistry" First European Conference on Computational Chemistry, Nancy, France, 1994

• N. Sukumar, "On the Radii of Atoms and Ions" 5^th WATOC, Jerusalem, 1996

• Curt M. Breneman, Nagamani Sukumar, Kristin P. Bennett, Mark J. Embrechts, Matthew Sundling and Larry Lockwood, "Wavelet representations of molecular electronic properties: Applications in ADME, QSPR and QSAR" 220^th National Meeting of the American Chemical Society, Washington, DC, Aug.2000

• N. Sukumar, Curt M. Breneman, Cecilia B. Mazza and Steven Cramer, "Predicting biomolecular recognition phenomena using the TAE/RECON method" 220^th National Meeting of the American Chemical Society, Washington, DC, Aug.2000

• N. Sukumar, C. Breneman, K. Bennett, M. Embrechts, M. Sundling and L. Lockwood, "TAE/RECON method in large database mining, QSAR, and ADME: A progress report on the DDASSL project" Pacifichem 2000 - fourth International Chemical Congress of Pacific Basin Societies, Honolulu, Hawaii, December 2000

• M. Embrechts, C. Breneman, K. Bennett, Nagamani Sukumar, "GA approaches for successful QSAR modeling" Pacifichem 2000 - fourth International Chemical Congress of Pacific Basin Societies, Honolulu, Hawaii, December 2000

• N. Sukumar, C. M. Breneman, and W. P. Katt, "Virtual high-throughput screening of large datasets using TAE/RECON descriptors" 221^st National Meeting, American Chemical Society, San Diego, April 2001

• C. M. Breneman, K. P. Bennett, M. J. Embrechts, J. Bi, A. Demiriz, L. Lockwood Jr., M. Momma^., and N. Sukumar, "Boosting support vector machines for VHTS, ADME and QSAR" 221^st National Meeting, American Chemical Society, San Diego, April 2001

• Minghu Song, N. Sukumar, Asif Ladiwala, Jinbo Bi, Larry Lockwood, Steven Cramer and Curt M. Breneman. "Recent Development of RECON/TAE Method for Prediction of Protein Retention in Ion-Exchange Systems" Biotechnology in the Capital Region conference: Imaging and Bioengineering, Rensselaerville, New York, September 2001

• Minghu Song, Wei Deng, Matthew Sundling, N. Sukumar, Asif Ladiwala, Steven Cramer and Curt M. Breneman, "Displacer Efficiency Prediction by Electronic Shape/Property-Encode Descriptors" Biotechnology in the Capital Region conference: Imaging and Bioengineering, Rensselaerville, New York, September 2001

• Qiong Luo, N. Sukumar and Curt M. Breneman, "Features of Conformation-Sensitive TAE Descriptors for Protein Modeling" Biotechnology in the Capital Region conference: Imaging and Bioengineering, Rensselaerville, New York, September 2001

• Curt M. Breneman, N. Sukumar, Steven Cramer, Minghu Song, Asif Ladiwala, Mark Embrechts and Kristin Bennett, "Virtual High-Throughput Screening of Molecular Properties using Transferable Atom Equivalent (TAE) Techniques" A.I.Ch.E. National Meeting, Reno, Nevada, Nov.2001

• N. Sukumar, Curt M. Breneman, Dechuan Zhuang, William P Katt, Mark J Embrechts and Kristin Bennett, "The use of RECON/PEST software and electron density-derived descriptors for virtual high throughput database screening and refinement" 223^rd National Meeting American Chemical Society, Orlando, April 2002

• N. Sukumar, Curt M. Breneman, C. Matthew Sundling, Lingling Shen, Minghu Song, Qiong Luo, Bo Jiang, Bill Katt and Hongmei Zhang, "New developments in PEST shape/property hybrid descriptors" 224^th National Meeting American Chemical Society, Boston, August 2002

• N. Sukumar, Charles E. Lawrence, Curt M. Breneman, Kristin P. Bennett and Inna Vitol, "Fuzzy bar code representations of DNA-protein interactions" 226^th National Meeting American Chemical Society, New York, September 2003

• N. Sukumar, Charles E. Lawrence, Curt M. Breneman, Kristin P. Bennett and Inna Vitol, "Dixel modeling of gene expression" 227^th National Meeting American Chemical Society, Anaheim, March 2004

• Qiong Luo, Asif Ladiwala, Dechuan Zhuang, N Sukumar, Curt M Breneman Steve M. Cramer, "Development of protein moment descriptors and pH-dependent descriptors for prediction of protein affinity in hydrophobic interaction chromatography systems" 228^th National Meeting American Chemical Society, Philadelphia, August 2004

• N. Sukumar, Curt M. Breneman and Mark J. Embrechts, "Electron density derived descriptors in ADME/tox screening" 229^th National Meeting American Chemical Society, San Diego, March 2005

• N. Sukumar, "Phase and Gauge Transformations and Evolution of the Chemist's Concept of Molecular Structure" International Society for the Philosophy of Chemistry, 2005 Summer Symposium, Nashville, August 2005

• N. Sukumar, Curt M. Breneman, Steven M. Cramer, Kristin P. Bennett, Matthew Sundling, Qiong Luo and Dechuan Zhuang, "Intelligent Data Mining for Modeling and Prediction of Protein-Protein Protein-Surface and Protein-DNA Interactions" Pacifichem 2005 - International Chemical Congress of Pacific Basin Societies, Honolulu, Hawaii, December 2005

• N. Sukumar, Curt M. Breneman, Steven M. Cramer, James A. Moore, Kristin P. Bennett, Mark J. Embrechts, Min Li, Jia Liu and Long Han, "Closing the Loop: From High-throughput Screening to Synthesis of Novel Protein Displacers" 231^st National Meeting American Chemical Society, Atlanta, March 2006

• Curt M. Breneman, Matthew C. Sundling, N. Sukumar, Kristin P. Bennett, Mark J. Embrechts and Steven Cramer, "Beyond PEST descriptors: Binding site and ligand shape/property fingerprints”" 231^st National Meeting American Chemical Society, Atlanta, March 2006

• N. Sukumar, Curt M. Breneman and C. Matthew Sundling, "New tools for virtual high-throughput screening, " 232^nd National Meeting American Chemical Society, San Francisco, September 2006

• Jia Liu, Min Li, N. Sukumar, Curt M. Breneman and Steven M. Cramer, "Identification of novel chemically selective displacers from commercial chemical databases using an SVM classification model and parallel batch screening experiments" 232^nd National Meeting American Chemical Society, San Francisco, September 2006

• N. Sukumar and Curt Breneman, "Electron Density Derived Descriptors in Drug Discovery and Protein Modeling" 2007 Gordon Conference on Electron Distributions and Chemical Bonding, Mt.Holyoke College, MA, July 1-6, 2007

• N. Sukumar, "Molecular Similarity and Molecular Structure" 2007 Summer Symposium, International Society for the Philosophy of Chemistry, San Francisco, Aug.5-9, 2007

• N. Sukumar, Curt M. Breneman, Kristin P. Bennett, Charles Bergeron, Theresa Hepburn, C. Matthew Sundling, Shekhar Garde, Rahul Godawat, Ishita Manjrekar, Maggie McClellan and Mike Krein, "Bio- and Chem-Informatics: Where do the twain meet?" 234^th National Meeting, American Chemical Society, Boston, MA, Aug.19-23, 2007

• M. Dominic Ryan, Theresa Hepburn, N. Sukumar, Saurav Das and Curt M. Breneman "TAE Augmented scoring functions: Two approaches, atom and surface based" 234^th National Meeting, American Chemical Society, Boston, MA, Aug.19-23, 2007

• Curt M. Breneman, N. Sukumar, Mark J. Embrechts, Kristin P. Bennett, C. Matthew Sundling, Mike Krein and Theresa Hepburn, "Realizing Prospective QSAR through data fusion and modern descriptors" 234^th National Meeting, American Chemical Society, Boston, MA, Aug.19-23, 2007

• Jed Zaretzki, Curt M. Breneman, Charles Bregeron, N. Sukumar and Mike Krein, "A reactivity and recognition component-based methodology for computational prediction of likely sites of CYP 450 3A4-mediated metabolism" 234^th National Meeting, American Chemical Society, Boston, MA, Aug.19-23, 2007

• Sourav Das, Curt M. Breneman, N. Sukumar and M. Dominic Ryan, "TAE augmented scoring functions: Application to enzymatic and nonenzymatic proteins 235^th National Meeting American Chemical Society, New Orleans, April 2008

• C. Matthew Sundling, Curt M. Breneman, Mark J. Embrechts, Changjian Huang, Xiaohua Wu and N. Sukumar, "Testing the limits of a QSAR model: How many cases are actually needed to develop a reliable predictive model? 235^th National Meeting American Chemical Society, New Orleans, April 2008

• Curt M. Breneman and N. Sukumar, "Cheminformatics developments at RECCR: New tools, collaborations and outreach 235^th National Meeting American Chemical Society, New Orleans, April 2008

• Mark J. Embrechts, Curt M. Breneman, Changjian Huang and N. Sukumar, "Testing the validity range of QSAR models using one-class support vector machines 235^th National Meeting American Chemical Society, New Orleans, April 2008

• Sunanda Sukumar, Benjamin Woo, N. Sukumar, Arshad S. Kokardekar, Judith Klein-Seetharaman and Kalyan C. Tirupula, "Docking Studies of Dipeptides to Metabotropic Glutamate Receptors 237th Northeast Regional Meeting American Chemical Society, Burlington, VT, June 2008

• Curt M. Breneman, N. Sukumar, Mike Krein, Margaret McLellan, Jed Zaretzki, Sourav Das and Arshad Shirish Kokardekar, "How much computation is enough? 236^th National Meeting American Chemical Society, Philadelphia, August 2008

• L. C. Brinson, Linda S. Schadler, Curt M. Breneman, N. Sukumar, M. Kreim and R. Qiao, "Intelligent design of nanocomposites via informatics 237^th National Meeting American Chemical Society, Salt Lake City, March 2009

POPULAR ARTICLES & MISCELANEOUS REPORTS

• N. Sukumar, "Constructing a Photo Essay" Schenectady Photographic Society FOCUS, November 2007

• N. Sukumar, "When is a photograph a photograph?" Schenectady Photographic Society FOCUS, Feb. 2004

• N. Sukumar, Cover photograph and article Slot canyon photography" PSA Journal, June 2002

• HART magazine (photographs), Issue 7 (Newburgh Center for the Arts, NY, Nov.1999)

• N. Sukumar, "Effect of Boundary Conditions on Cellular Automata that Classify Density" Los Alamos eprint archive, 1998

• T. V. Gopalkrishnan and N. Sukumar, "Algebra of Indian Music and its Cognition" Conference on Vedic Sciences, Chennai, India, 1997

• Rajeeb Chakraborty & N. Sukumar, "Techniques for the Generation of Tihais in the Indian Tala System" December 1994 (Rajeeb Chakraborty, D.A. Arts University, Ph. D. thesis)

• N. Sukumar, "An Appreciation of the Wave Equation" Indian Science Association Newsletter, 25(3), 15 May 1979

• N. Sukumar, "The Earth: A Hundred Million Years Later" Indian Science Association Newsletter, 24(8), October 1978

• Rahul S. Bhaduri & N. Sukumar, "Black Holes of the Universe" Indian Science Association Newsletter, 24(6), August 1978

• N. Sukumar, "Worlds and Antiworlds" Indian Science Association Newsletter, 24(5), July 1978

• Ajit Prasad & N. Sukumar, "The Origin of The Universe" Indian Science Association Newsletter, 24(5), July 1978

• N. Sukumar, "On Gravity and Supersymmetry" Indian Science Association Newsletter, 24(4), 1 July 1978

• N. Sukumar & Rahul S. Bhaduri, "Frontiers of Genetic Research" Indian Science Association Newsletter, 23(20), 1 February 1978

• N. Sukumar, "Wanted: Scientific Administrators" (Editorial), Indian Science Association Newsletter, 23(17), December 1977

• N. Sukumar, "The Cause of Crystal Defects" Indian Science Association Newsletter, 23(13), 1 October 1977

• Rahul S. Bhaduri & N. Sukumar, "What's New: The EMI Scanner" Indian Science Association Newsletter, 22(18), 15 February 1977

• N. Sukumar, "Water Pollution" (Interview), Indian Science Association Newsletter, 22(14), 15 December 1976

• N. Sukumar, "Viking's Achievements in its Quest for Extraterrestrial Life" Indian Science Association Newsletter, 22(10), 1 October 1976

• N. Sukumar & Rahul S. Bhaduri, "How Safe is Nuclear Power?" Indian Science Association Newsletter, 22(5), July 1976

• N. Sukumar, "Life through the Ages" Indian Science Association Newsletter, 22(1), April 1976

• N. Sukumar, "Plastics" (Film Critique), Indian Science Association Newsletter, 21(26), 15 March 1976

• N. Sukumar, "Leap Year" Indian Science Association Newsletter, 21(25), 1 March 1976

• N. Sukumar & Rahul S. Bhaduri, "Techniques of Desalination" Indian Science Association Newsletter, 21(23), 1 February 1976

• N. Sukumar, "The Humouse" (Science Fiction), Indian Science Association Newsletter, 21(17), 15 October 1975; 21(22), 15 January 1976

• N. Sukumar, "Formation of Glasses" Indian Science Association Newsletter, 21(20), 1 December 1975

• N. Sukumar, "International Women's Year" (Editorial), Indian Science Association Newsletter, 21(15), September 1975

• N. Sukumar, "The Mystery of the Drinking Bird" Indian Science Association Newsletter, 21(3), 1 May 1975

• N. Sukumar, "The Creaming of Milk" Indian Science Association Newsletter, 21(1), 26 March 1975

• N. Sukumar, "The Hidden Earth" & "The Inconstant Air" (Film Critiques), Indian Science Association Newsletter, 20(10), 15 July 1974

• N. Sukumar, "Solving the Energy Crisis" (Editorial), Indian Science Association Newsletter, 20(8), 21 June 1974

• N. Sukumar, "The Orbital Concept" Indian Science Association Newsletter, 20(5), 15 May 1974

INVITED LECTURES

• Hindustan Lever Research Centre, Bombay, India, 1987

• Second Winter School on Molecular Dynamics, Indian Institute Of Technology, Kanpur, 1988

• IDL Nitro-Nobel Basic Research Institute, Bangalore, India, 1988

• Department of Inorganic and Physical Chemistry, Indian Institute of Science, Bangalore, 1988

• School of Physical Sciences, Jawaharlal Nehru University, Delhi, 1988

• Department of Physical Chemistry, Indian Association for the Cultivation of Science, Jadavpur, Calcutta, 1988

• Discussion Meeting on Electronic Structure, Indian Institute of Science, Bangalore, 1989

• Bergische University Gesamthochschule Wuppertal, Germany, 1991

• Institute for Theoretical Chemistry, University of Bonn, Germany, 1991

• Laboratory for chemical and mineralogical Crystallography, University of Bern, Switzerland, 1991

• Institute of Quantum Chemistry, Uppsala University, Sweden, 1991

• Indian Academy of Sciences Discussion Meeting on Trends in Theoretical Chemistry, Indian Institute Of Technology, Kharagpur, 1993

• Workshop on Density Matrices, Sagamore XI Conference on Charge, Spin and Momentum Densities, Brest, France, 1994

• Institute of Quantum Chemistry, Uppsala University, Sweden, 1994

• Institute for Mathematical Sciences, Madras, 1995, 2005

• Academy Discussion Meeting on Frontiers in Structural Chemistry, Indian Institute Of Technology, Madras, 1996

• Department of Physics, Marquette University, Milwaukee, 1998

• ICAGEN, Research Triangle Park, North Carolina, 2001

• American Chemical Society, Eastern New York section, Schenectady, NY, Jan. 2008

• "Yatra Trails of the Indian Himalayas" Photographic Society of America International Conference of Photography, Portland, Oregon, 2008
• Indian Institute Of Technology, Kharagpur, Dec.2009

• Institute for Mathematical Sciences, Chennai, India, Jan.2010

• "Sandstone Symphony: The American Southwest - Land of Abstracts" Photographic Association of Dum Dum 9th International Conference, Kolkatta, India, Jan.2010

• Indian Institute of Science Education and Research, Mohali, India, Feb.2010