My current research interests include (a) design, development, customization, maintenance and optimization of parallel computing and visualization platforms; (b) development of technological tools that assist research and classroom teaching; (c) development of computational sciences and engineering curriculum; (d) interaction of biological matter with nanomaterials; (e) electronic structure computations of nanoclusters.
I serve as the principal investigator for several projects involving interests (a) – (c). I serve as a co-PI for several other projects in multi-disciplinary fields spanning several academic departments.
Publications
Necessary information about citations and h index (18) is gathered manually from the Google Scholar program and visualized using a software suite developed in-house.
Journal Article 
Book Chapter 
Conference Proceeding 
MS Thesis 
PhD Dissertation
| 01 |
A Machine Learning Framework For Predicting The Shear Strength Of Carbon Nanotube-Polymer Interfaces Based On Molecular Dynamics Simulation Data (11 citations) A. Rahman, P. Deshpande, M. Radue, G. Odegard, S. Gowtham, S. Ghosh, A. Spear Composites Science and Technology, vol. 207, p. 108627, 2021 |
| 02 |
Wetting Simulation Of High-Performance Polymer Resins On Carbon Nanotube Surfaces As A Function Of Temperature Using Molecular Dynamics S. Bamane, P. Gaikwad, M. S. Radue, S. Gowtham, G. M. Odegard Polymer Physics and Theory, vol. 13, p. 2162, 2021 |
| 03 |
The Microscale Behaviors And Damage Evolutions Of Graphene/Epoxy Nanocomposites O. Aluko, S. Gowtham, G. M. Odegard Mechanics of Materials, vol. VOL, p. PP, 2021 |
| 04 |
The Assessment Of Carbon Nanotube (CNT) Geometry On The Mechanical Properties Of Epoxy Nanocomposites O. Aluko, S. Gowtham, G. Odegard Journal of Micromechanics and Molecular Physics, vol. 5, p. 2050005, 2020 |
| 05 |
Multiscale Modeling Of Carbon Fiber-Graphene Nanoplatelet-Epoxy Hybrid Composites Using A Reactive Force Field (20 citations) H. A. Mahmud, M. S. Radue, S. Chinkanjanarot, W. A. Pisani, S. Gowtham, G. M. Odegard Composites Part B: Engineering, vol. 172, p. 628, 2019 |
| 06 |
Multiscale Modeling Of Aluminum Nickel-Coated Carbon Fiber Metal Matrix Composites O. Aluko, S. Gowtham, G. Odegard International Journal of Modern Engineering, vol. 20, p. 28, 2019 |
| 07 |
Comparing The Mechanical Response Of Di-, Tri-, And Tetra-Functional Resin Epoxies With Reactive Molecular Dynamics (34 citations) M. S. Radue, B. D. Jensen, S. Gowtham, D. R. Klimek-McDonald, J. A. King, G. M. Odegard Journal of Polymer Science, Part B: Polymer Physics, vol. 55, p. 255, 2018 |
| 08 |
Multiscale Thermal Modeling Of Cured Cycloaliphatic Epoxy/Carbon Fiber Composites (16 citations) S. Chinkanjanarot, M. S. Radue, S. Gowtham, J. M. Tomasi, D. R. Klimek-McDonald, J. A. King, G. M. Odegard Journal of Applied Polymer Science, vol. 135, p. 46371, 2018 |
| 09 |
The Development Of Multiscale Models For Predicting The Mechanical Response Of GNP Reinforced Composite Plate (10 citations) O. Aluko, G. M. Odegard, S. Gowtham Composite Structures, vol. 206, p. 526, 2018 |
| 10 |
Predicting The Effective Mechanical Properties Of Graphene Nanoplatelet-Carbon Fiber-Epoxy Hybrid Composites Using ReaxFF: A Multiscale Modeling (2 citations) H. Al Mahmud, M. S. Radue, S. Chinkanjanarot, W. A. Pisani, S. Gowtham, G. M. Odegard ASCE Earth And Space Conference, Cleveland, Ohio, USA, 2018 |
| 11 |
The Effect Of Chirality And Strain Rate On Mechanical Properties Of Carbon Nanotube (CNT) And CNT/Epoxy Composite O. Aluko, S. Gowtham, G. M. Odegard American Society For Composites 33rd Technical Conference On Composite Materials, Seattle, Washington, USA, 2018 |
| 12 |
Effect Of Temperature On Elastic And Yielding Behavior Of Epoxy Using Reactive Force Field (1 citation) O. Aluko, S. Gowtham, G. M. Odegard International Journal of Modern Engineering, vol. 17, p. 13, 2017 |
| 13 |
Multiscale Modeling And Analysis Of Graphene Nanoplatelet/Carbon Fiber/Epoxy Hybrid Composite (40 citations) O. Aluko, S. Gowtham, G. M. Odegard Composites Part B: Engineering, vol. 131, p. 82, 2017 |
| 14 |
Thermal Conductivity Of Graphene Nanoplatelet/Carbon Fiber/Cycloaliphatic Epoxy Hybrid Composites: Multiscale Modeling S. Chinkanjanarot, M. S. Radue, J. M. Tomasi, D. R. Klimek-McDonald, S. Gowtham, J. A. King, G. M. Odegard American Society For Composites 32nd Technical Conference On Composite Materials, West Lafayette, Indiana, USA, 2017 |
| 15 |
Effect Of Volume Fraction Of Graphene Nanoplatelet On Fracture Characteristic Of Graphene/Epoxy Composite Using Reactive Force Field O. Aluko, S. Gowtham, G. M. Odegard American Society For Composites 32nd Technical Conference On Composite Materials, West Lafayette, Indiana, USA, 2017 |
| 16 |
Mechanical Properties Of Graphene Nanoplatelet/Carbon Fiber/Epoxy Hybrid Composites: Multiscale Modeling And Experiments G. M. Odegard, C. M. Hadden, D. R. Klimek-McDonald, E. J. Pineda, J. A. King, A. M. Reichanadter, I. Miskioglu, S. Gowtham 4th International Confernece On Nanomechanics And Nanocomposites, Vicenza, Italy, 2016 |
| 17 |
Predicting Thermal Conductivity Of Graphene Nanoplatelet/Epoxy Nanocomposite Using Non-Equilibrium Molecular Dynamics (2 citations) S. Chinkanjanarot, M. S. Radue, D. R. Klimek-McDonald, S. Gowtham, J. A. King, G. M. Odegard American Society For Composites 31st Technical Conference On Composite Materials, Williamsburg, VA, USA, 2016 |
| 18 |
Molecular Dynamics Model Of Graphene Nanoplatelet In EPON 862/DETDA Polymer (2 citations) O. Aluko, S. Gowtham, G. M. Odegard American Society For Composites 31st Technical Conference On Composite Materials, Williamsburg, Virginia, USA, 2016 |
| 19 |
Mechanical Properties Of Graphene Nanoplatelet/Carbon Fiber/Epoxy Hybrid Composites: Multiscale Modeling And Experiments (156 citations) C. M. Hadden, D. R. Klimek-McDonald, E. J. Pineda, J. A. King, A. M. Reichanadter, I. Miskioglu, S. Gowtham, G. M. Odegard Carbon, vol. 95, p. 100, 2015 |
| 20 |
A Molecular Dynamic Modeling Of Cross-Linked Epoxy Resin Using Reactive Force Field: Thermo-Mechanical Properties (4 citations) O. Aluko, S. Gowtham, G. M. Odegard Journal of Mechanics Engineering and Automation, vol. 5, p. 655, 2015 |
| 21 |
Applying Reactive Molecular Dynamics To Predict And Compare The Mechanical Response Of Di-, Tri-, And Tetra-Functional Resin Epoxies (2 citations) M. S. Radue, B. D. Jensen, S. Gowtham, G. M. Odegard, D. R. Klimek-McDonald, J. A. King American Society For Composites 30th Technical Conference On Composite Materials, East Lansing, MI, USA, 2015 |
| 22 |
Applying Reactive Molecular Dynamics To Predict And Compare The Mechanical Response Of Di-, Tri-, And Tetra-Functional Resin Epoxies (2 citations) M. S. Radue, B. D. Jensen, S. Gowtham, G. M. Odegard, D. R. Klimek, J. A. King American Society For Composites 30th Technical Conference On Composite Materials, East Lansing, MI, USA, 2015 |
| 23 |
Mechanical Properties Of Graphene Nanoplatelet/carbon Fiber/epoxy Hybrid Composites: Multiscale Modeling And Experiments C. M. Hadden, D. R. Klimek-McDonald, E. J. Pineda, J. A. King, A. M. Reichanadter, I. Miskioglu, S. Gowtham, G. M. Odegard 20th International Conference On Composite Materials, Copenhagen, Denmark (NASA/TM-2015-218731; 2015), 2015 |
| 24 |
Mechanical Properties Of Graphene Nanoplatelet/Carbon Fiber/Epoxy Hybrid Composites: Multiscale Modeling And Experiments C. M. Hadden, D. R. Klimek-McDonald, E. J. Pineda, J. A. King, A. M. Reichanadter, I. Miskioglu, S. Gowtham, G. M. Odegard American Society For Composites 30th Technical Conference On Composite Materials, East Lansing, Michigan, USA, 2015 |
| 25 |
A Computational Molecular Dynamic Study On Epoxy-Based Network: Thermo-Mechanical Properties (3 citations) O. Aluko, S. Gowtham, S. Chinkanjanarot, M. S. Radue, G. M. Odegard American Society For Composites 30th Technical Conference On Composite Materials, East Lansing, MI, USA, 2015 |
| 26 |
Predicting Mechanical Response Of Crosslinked Epoxy Using ReaxFF (116 citations) G. M. Odegard, B. D. Jensen, S. Gowtham, J. Y. Wu, J. Y. He, Z. L. Zhang Chemical Physics Letters, vol. 591, p. 175, 2014 |
| 27 |
Dynamical Instability And Fermi Surface Topology In Ni2FeGa From First Principles (9 citations) S. Chabungbam, S. Gowtham, M. B. Sahariah Physical Review B, vol. 89, p. 085114, 2014 |
| 28 |
Predicting Mechanical Response Of Crosslinked Epoxy Using ReaxFF G. M. Odegard, B. D. Jensen, S. Gowtham, J. Y. Wu, J. Y. He, Z. L. Zhang American Society For Composites 29th Technical Conference/16th US-Japan Conference On Composite Materials, La Jolla, CA, 2014 |
| 29 |
Predicting Thermo-Mechanical Response Of Crosslinked Epoxy Using ReaxFF G. M. Odegard, B. D. Jensen, S. Gowtham, J. Y. Wu, J. Y. He, Z. L. Zhang 55th AIAA/ASME/ASCE/AHS/SC Structures, Structural Dynamics, And Materials Conference, National Harbor, Maryland, USA, 2014 |
| 30 |
Revision Control System (RCS) In Computational Sciences And Engineering Curriculum (5 citations) S. Gowtham XSEDE'14, Atlanta, Georgia, USA, 2014 |
| 31 |
Applicability Of CNTs And BNNTs As Biosensors: Effect Of Biomolecular Adsorption On The Transport Properties Of Carbon And Boron Nitride Nanotubes (10 citations) X. Zhong, S. Mukhopadhyay, S. Gowtham, R. Pandey, S. P. Karna Applied Physics Letters, vol. 102, p. 133705, 2013 |
| 32 |
First-Principles Computation Of Structural, Elastic And Magnetic Properties Of Ni2FeGa Across The Martensitic Transformation (36 citations) M. B. Sahariah, S. Ghosh, C. S. Singh, S. Gowtham, R. Pandey Journal of Physics: Condensed Matter, vol. 25, p. 025502, 2012 |
| 33 |
Diffusion Of Water Molecules In Amorphous Silica (26 citations) S. Kostinski, R. Pandey, S. Gowtham, U. Pernisz, A. Kostinski IEEE Electron Device Letters, vol. 33, p. 864, 2012 |
| 34 |
Electronic Structure Calculations Of Substitutional And Interstitial Hydrogen In Nb (11 citations) P. Khowash, S. Gowtham, R. Pandey Solid State Communications, vol. 152, p. 788, 2012 |
| 35 |
Theoretical Study Of Physisorption Of Nucleobases On Boron Nitride Nanotubes: A New Class Of Hybrid Nano-Bio Materials (130 citations) S. Mukhopadhyay, S. Gowtham, R. H. Scheicher, R. Pandey, S. P. Karna Nanotechnology, vol. 21, p. 165703, 2010 |
| 36 |
Theoretical Study Of Small Clusters Of Indium Oxide: InO, In2O, InO2, In2O2 (26 citations) S. Mukhopadhyay, S. Gowtham, R. Pandey, A. Costales Journal of Molecular Structure: THEOCHEM, vol. 948, p. 31, 2010 |
| 37 |
A Numerical Investigation Into Possible Mechanisms By That The A629P Mutant Of ATP7A Causes Menkes Disease (9 citations) M. Kouza, S. Gowtham, M. J. Seel, U. H. E. Hansmann Physical Chemistry Chemical Physics, vol. 12, p. 11390, 2010 |
| 38 |
Physisorption Of Nucleic Acid Bases On Boron Nitride Nanotubes: A New Class Of Hybrid Nano-Bio Materials S. Mukhopadhyay, S. Gowtham, R. H. Scheicher, R. Pandey, S. P. Karna American Physical Society March Meeting, Portland, Oregon, USA, 2010 |
| 39 |
First-Principles Study Of Physisorption Of Nucleic Acid Bases On Small-Diameter Carbon Nanotubes (195 citations) S. Gowtham, R. H. Scheicher, R. Ahuja, R. Pandey, S. P. Karna Nanotechnology, vol. 19, p. 125701, 2008 |
| 40 |
Physisorption Of Nucleobases On Graphene: Density Functional Calculations (333 citations) S. Gowtham, R. H. Scheicher, R. Ahuja, R. Pandey, S. P. Karna Physical Review B, vol. 76, p. 33401, 2007 |
| 41 |
Interaction Of Biological Matter With Nanomaterials: A First-Principles Approach S. Gowtham, R. H. Scheicher, R. Ahuja, R. Pandey 2007 From Computational Biophysics To Systems Biology, Jülich, Germany, vol. 36, p. 117, 2007 |
| 42 |
First-Principles Study Of Nucleic Acid Bases Physisorbed On Graphene S. Gowtham, R. H. Scheicher, R. Ahuja, R. Pandey, S. P. Karna American Physical Society March Meeting, Denver, CO, USA, 2007 |
| 43 |
Geometry, Electronic Properties, And Thermodynamics Of Pure And Al-Doped Li Clusters (18 citations) M. S. Lee, S. Gowtham, H. He, K. C. Lau, L. Pan, D. G. Kanhere Physical Review B, vol. 74, p. 245412, 2006 |
| 44 |
Theoretical Study Of Sequential Oxidation Of Clusters Of Gallium Oxide: Ga3On (n:4-8) (8 citations)S. Gowtham, A. Costales, R. Pandey Chemical Physics Letters, vol. 431, p. 358, 2006 |
| 45 |
DNA-CNT Interaction-A Density Functional Approach R. H. Scheicher, S. Gowtham, R. Ahuja, R. Pandey American Physical Society March Meeting, Baltimore, Maryland, USA, 2006 |
| 46 |
DNA-CNT Interaction From Density Functional Theory S. Gowtham, R. H. Scheicher, R. Ahuja, R. Pandey NT'06, Nagano, Japan, 2006 |
| 47 |
DNA-CNT Interaction From Density Functional Theory S. Gowtham, R. H. Scheicher, R. Ahuja, R. Pandey International Symposium On The Frontiers In Nanoscale Science, Technology And Education, Cochin, India, 2006 |
| 48 |
Sequential Oxidation Of Gallium Oxide Clusters - A First-Principles Study S. Gowtham, A. Costales, R. Pandey American Physical Society March Meeting, Baltimore, Maryland, USA, 2006 |
| 49 |
Structural, Energetic, Electronic, Bonding, And Vibrational Properties Of Ga3O, Ga3O2, Ga3O3, Ga2O3, And GaO3 Clusters (46 citations) S. Gowtham, M. D. Deshpande, A. Costales, R. Pandey Journal of Physical Chemistry B, vol. 109, p. 14836, 2005 |
| 50 |
Theoretical Study Of Gallium Oxide Clusters S. Gowtham, A. Costales, M. D. Deshpande, R. Pandey American Physical Society March Meeting, Los Angeles, California, USA, 2005 |
| 51 |
Structure, Energetics, Electronic, And Hydration Properties Of Neutral And Anionic Al3O6, Al3O7 And Al3O8 Clusters (27 citations) S. Gowtham, K. C. Lau, M. D. Deshpande, R. Pandey, A. K. Gianotto, G. S. Groenewold Journal of Physical Chemistry A, vol. 108, p. 5081, 2004 |
| 52 |
Theoretical Study Of Neutral And Ionic States Of Small Clusters Of GamOn (m,n=1,2) (25 citations)S. Gowtham, A. Costales, R. Pandey Journal of Physical Chemistry B, vol. 108, p. 17295, 2004 |
| 53 |
Formation And Hydration Of Aluminum Oxide Cluster Ions In A Quadrupole IT-SIMS A. K. Gianotto, J. W. Rawlinson, A. D. Appelhans, S. Gowtham, K. C. Lau, R. Pandey, P. B. Harrington, G. S. Groenewold Federation Of Analytical Chemistry Spectroscopy Societies Annual Meeting, Ft. Lauderdale, Florida, USA, 2003 |