Sandeep Kumar Jain
Sandeep Kumar Jain
Shell Technology Center Bangalore
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Structure of twisted and buckled bilayer graphene
SK Jain, V Juričić, GT Barkema
2D Materials 4 (1), 015018, 2016
Equation of state of fluid methane from first principles with machine learning potentials
M Veit, SK Jain, S Bonakala, I Rudra, D Hohl, G Csányi
Journal of chemical theory and computation 15 (4), 2574-2586, 2019
Strong long-range relaxations of structural defects in graphene simulated using a new semiempirical potential
SK Jain, GT Barkema, N Mousseau, CM Fang, MA van Huis
The Journal of Physical Chemistry C 119 (17), 9646-9655, 2015
Probing the shape of a graphene nanobubble
SK Jain, V Juričić, GT Barkema
Physical Chemistry Chemical Physics 19 (11), 7465-7470, 2017
Structural characterization of carbon nanotubes via the vibrational density of states
AJ Pool, SK Jain, GT Barkema
Carbon 118, 58-65, 2017
Ultrasonic sonochemical synthesis of Na0.44MnO2 insertion material for sodium-ion batteries
GS Shinde, PD Nayak, SP Vanam, SK Jain, AD Pathak, S Sanyal, ...
Journal of Power Sources 416, 50-55, 2019
Probing crystallinity of graphene samples via the vibrational density of states
SK Jain, V Juricic, GT Barkema
The Journal of Physical Chemistry Letters 6 (19), 3897-3902, 2015
Boundaries determine the formation energies of lattice defects in two-dimensional buckled materials
SK Jain, V Juričić, GT Barkema
Physical Review B 94 (2), 020102, 2016
Theoretical Investigation of Reaction Kinetics and Thermodynamics of the Keto-Enol Tautomerism of 1, 3, 5-Triazin-2, 4(1H, 3H)-Dione and Its Substituted Systems Utilizing …
PM Singh, HK Chakravarty, SK Jain, A Pathak, MK Singh, E Arunan
Computational and Theoretical Chemistry 1141, 15-40, 2018
Rupture of amorphous graphene via void formation
SK Jain, GT Barkema
Physical Chemistry Chemical Physics 20, 16966-16972, 2018
Simulation of Graphene Mechanics
SK Jain
Utrecht University, 2017
Computational calculations of Enthalpy of formation of Haloethanols
HK Chakravarty, SK Jain, E Arunan
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