18 citations · 18 across the 1 of their papers we have counts for
3 papers
Equation of state of fluid methane from first principles with machine learning potentials
Max Veit, Sandeep Kumar Jain, Satyanarayana Bonakala +3
The predictive simulation of molecular liquids requires models that are not only accurate, but computationally efficient enough to handle the large systems and long time scales req…
Rupture of amorphous graphene via void formation
Sandeep K. Jain, Gerard T. Barkema
Apart from its unique and exciting electronic properties, many sensor based applications of graphene are purely based on its mechanical and structural properties. Here we report a…
Structural characterization of carbon nanotubes via the vibrational density of states
Albert J. Pool, Sandeep K. Jain, Gerard T. Barkema
The electrical and chemical properties of carbon nanotubes vary significantly with different chirality and diameter, making the experimental determination of these structural prope…