Patents
1. Gasoline Composition Comprising Alkyl Levulinates and Process of Making the Same
MA Haider, TS Khan, G Shrivastav, M Agarwal, Indian Patent, 318476 (2018)
Research Articles
16. Rational tailoring of metal precursor interactions with the zeolite support in Mo/HZSM-5 catalyst for methane dehydroaromatization
S Balyan, I Ahangar, M Ussama, D Gupta, T Khan, KK Pant, G Shrivastav, MA Haider, Crystal Growth and Design
15. Structure and Energetics Guide Dynamic Behaviour in a T= 3 Icosahedral Virus Capsid
G Shrivastav, S Borkotoy, D Dey, B Singh, N Katyal, K Azad, B Jayaram, M Agarwal, M Banerjee, Biophysical Chemistry, 305, 107152 (2024)
14. The Operating Cycle of NO Adsorption and Desorption in Pd–Chabazite for Passive NOx Adsorbers
M Kaushik, G Shrivastav, TS Khan, MA Haider, D Bhatia, Langmuir 37 (47), 13799-13809 (2021)
13. Optimizing String Method's Reproducibility using Generalized Solute Tempering Replica Exchange
G Shrivastav, C F Abrams, Journal of Physical Chemistry B, 125 (24), 6609-6616 (2021)
12. Elucidating the Role of Solvents in Acid Catalyzed Dehydration of Biorenewable Hydroxy-Lactones
G Shrivastav, TS Khan, M Agarwal, MA Haider, React. Chem. Eng., 5, 651-662 (2020)
11. Mapping Saddles and Minima on Free Energy Surfaces using Multiple Climbing Strings
G. Shrivastav, E. Vanden-Eijnden, C. F. Abrams, Journal of Chemical Physics, 151, 124112 (2019)
10. A CPMD Simulation Study of Retro Diels-Alder Reaction for Partially Saturated 2-Pyrones in Water
G Shrivastav, TS Khan, M Agarwal, MA Haider, Journal of Physical Chemistry C, 122, 11599 (2018)
9. Capillary Evaporation of the Ionic Liquid [EMIM][BF4] in Nanoscale Solvophobic Confinement
G Shrivastav, R Remsing, HK Kashyap, Journal of Chemical Physics, 148, 193810 (2018)
8. Analyzing Molecular Simulations Trajectories by Utilizing CUDA on GPU Architecture
G Shrivastav, M Agarwal, arXiv preprint arXiv:1708.08619 (2017)
7. Reformulation of gasoline to replace aromatics by biomass-derived alkyl levulinates
G Shrivastav, TS Khan, M Agarwal, MA Haider, ACS Sustainable Chemistry & Engineering 5 (8), 7118 (2017)
6. Thermodynamic regimes over which homologous alkane fluids can be treated as simple liquids
G Shrivastav, M Agarwal, C Chakravarty, HK Kashyap, Journal of Molecular Liquids 231, 106 (2017)
G Shrivastav, A Gupta, A Rastogi, D Dhabal, HK Kashyap, Journal of Chemical Physics 146, 064503 (2017)
4. Stress–Strain Relationships in Hydroxyl Substituted Polyethylene
G Shrivastav, M Agarwal, Journal of Physical Chemistry B 120, 7598 (2016)
HOS Yadav, G Shrivastav, M Agarwal, C Chakravarty, Journal of Chemical Physics 144, 244901 (2016)
2. Applications to Soft Matter: general discussion
VN Manoharan, G Kumaraswamy, MG Basavaraj, S Kumar, S Kulkarni, Faraday discussions 186, 503-527 (2016)
1. GPU USAGE IN MOLECULAR DYNAMICS TRAJECTORY ANALYSIS
G. Shrivastav, M. Agarwal, and C. Chakravarty, Case Study, Nvidia Corporation (2014)