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 (15) 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 (3 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. VOL, p. PP, 2021

03 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

04 Multiscale Modeling Of Carbon Fiber- Graphene Nanoplatelet-Epoxy Hybrid Composites Using A Reactive Force Field (17 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

05 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

06 Comparing The Mechanical Response Of Di-, Tri-, And Tetra-Functional Resin Epoxies With Reactive Molecular Dynamics (28 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

07 Multiscale Thermal Modeling Of Cured Cycloaliphatic Epoxy/Carbon Fiber Composites (14 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

08 The Development Of Multiscale Models For Predicting The Mechanical Response Of GNP Reinforced Composite Plate (9 citations)
O. Aluko, G. M. Odegard, S. Gowtham
Composite Structures, vol. 206, p. 526, 2018

09 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

10 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

11 Effect Of Temperature On Elastic And Yielding Behavior Of Epoxy Using Reactive Force Field
O. Aluko, S. Gowtham, G. M. Odegard
International Journal of Modern Engineering, vol. 17, p. 13, 2017

12 Multiscale Modeling And Analysis Of Graphene Nanoplatelet/Carbon Fiber/Epoxy Hybrid Composite (39 citations)
O. Aluko, S. Gowtham, G. M. Odegard
Composites Part B: Engineering, vol. 131, p. 82, 2017

13 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

14 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

15 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

16 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

17 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

18 Mechanical Properties Of Graphene Nanoplatelet/Carbon Fiber/Epoxy Hybrid Composites: Multiscale Modeling And Experiments (147 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

19 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

20 Applying Reactive Molecular Dynamics To Predict And Compare The Mechanical Response Of Di-, Tri-, And Tetra-Functional Resin Epoxies
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

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, J. A. King
American Society For Composites 30th Technical Conference On Composite Materials, East Lansing, MI, USA, 2015

22 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

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
American Society For Composites 30th Technical Conference On Composite Materials, East Lansing, Michigan, USA, 2015

24 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

25 Predicting Mechanical Response Of Crosslinked Epoxy Using ReaxFF (108 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

26 Dynamical Instability And Fermi Surface Topology In Ni2FeGa From First Principles (8 citations)
S. Chabungbam, S. Gowtham, M. B. Sahariah
Physical Review B, vol. 89, p. 085114, 2014

27 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

28 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

29 Revision Control System (RCS) In Computational Sciences And Engineering Curriculum (4 citations)
S. Gowtham
XSEDE'14, Atlanta, Georgia, USA, 2014

30 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

31 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

32 Diffusion Of Water Molecules In Amorphous Silica (23 citations)
S. Kostinski, R. Pandey, S. Gowtham, U. Pernisz, A. Kostinski
IEEE Electron Device Letters, vol. 33, p. 864, 2012

33 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

34 Theoretical Study Of Physisorption Of Nucleobases On Boron Nitride Nanotubes: A New Class Of Hybrid Nano-Bio Materials (126 citations)
S. Mukhopadhyay, S. Gowtham, R. H. Scheicher, R. Pandey, S. P. Karna
Nanotechnology, vol. 21, p. 165703, 2010

35 Theoretical Study Of Small Clusters Of Indium Oxide: InO, In2O, InO2, In2O2 (24 citations)
S. Mukhopadhyay, S. Gowtham, R. Pandey, A. Costales
Journal of Molecular Structure: THEOCHEM, vol. 948, p. 31, 2010

36 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

37 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

38 First-Principles Study Of Physisorption Of Nucleic Acid Bases On Small-Diameter Carbon Nanotubes (191 citations)
S. Gowtham, R. H. Scheicher, R. Ahuja, R. Pandey, S. P. Karna
Nanotechnology, vol. 19, p. 125701, 2008

39 Physisorption Of Nucleobases On Graphene: Density Functional Calculations (330 citations)
S. Gowtham, R. H. Scheicher, R. Ahuja, R. Pandey, S. P. Karna
Physical Review B, vol. 76, p. 33401, 2007

40 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

41 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

42 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

43 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

44 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

45 DNA-CNT Interaction From Density Functional Theory
S. Gowtham, R. H. Scheicher, R. Ahuja, R. Pandey
NT'06, Nagano, Japan, 2006

46 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

47 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

48 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

49 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

50 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

51 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

52 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