Kiran Sasikumar

Machine Learning Classical Interatomic Potentials for Molecular Dynamics from First-Principles Training Data

Henry Chan, Badri Narayanan, Mathew J. Cherukara et al. · The Journal of Physical Chemistry C · 2019 · 134 citations · Full text

Engineering, Material Simulation, Computational Chemistry +18

Thermal Transport across a Substrate–Thin-Film Interface: Effects of Film Thickness and Surface Roughness

Zhi Liang, Kiran Sasikumar, Pawel Keblinski · Physical Review Letters · 2014 · 116 citations

Engineering, Thermal Conductivity, Film Thickness Dependence +16

<i>Ab Initio</i>-Based Bond Order Potential to Investigate Low Thermal Conductivity of Stanene Nanostructures

Mathew J. Cherukara, Badri Narayanan, Kiran Sasikumar et al. · The Journal of Physical Chemistry Letters · 2016 · 95 citations

Engineering, Chemistry, Molecular Dynamics +17

Formation and Nature of Carbon-Containing Tribofilms

Hongxing Wu, Arman Mohammad Khan, Blake A. Johnson et al. · ACS Applied Materials & Interfaces · 2019 · 93 citations

Materials Science, Tribological Coating, Carbonization +15

Predicting crystal form stability under real-world conditions

Dzmitry S. Firaha, Yifei Michelle Liu, Jacco van de Streek et al. · Nature · 2023 · 83 citations · Full text