3 papers
cond-mat.mtrl-sci2026
INTERFACE Force Field for Alumina with Validated Bulk Phases and a pH-Resolved Surface Model Database for Electrolyte and Organic Interfaces
Cheng Zhu, Krishan Kanhaiya, Samir Darouich +7
Alumina and aluminum oxyhydroxides underpin chemical-engineering technologies from heterogeneous catalysis, corrosion protection, functional coatings, energy-storage devices, to bi…
physics.optics2025
Light-induced quantum friction of carbon nanotubes in water
Tanuja Kistwal, Krishan Kanhaiya, Adrian Buchmann +8
Quantum friction describes the transfer of energy and momentum from electronically excited states in a material to a surrounding solvent. Here, we show that near-infrared (NIR) flu…
cond-mat.stat-mech2024
Implementing Reactivity in Molecular Dynamics Simulations with Harmonic Force Fields
Jordan J. Winetrout, Krishan Kanhaiya, Joshua Kemppainen +7
The simulation of chemical reactions and mechanical properties including failure from atoms to the micrometer scale remains a longstanding challenge in chemistry and materials scie…