37 citations · 106 across the 12 of their papers we have counts for
3 papers · 1 filter
Catalysis in Extreme Field Environments: The Case of Strongly Ionized Nanoparticle Surfaces
Thomas M. Linker, Ritika Dagar, Alexandra Feinberg +8
High electric fields can significantly alter catalytic environments and the resultant chemical processes. Such fields arise naturally in biological systems but can also be artifici…
Thermal Conductivity Calculation using Homogeneous Non-equilibrium Molecular Dynamics Simulation with Allegro
Kohei Shimamura, Shinnosuke Hattori, Ken-ichi Nomura +2
In this study, we derive the heat flux formula for the Allegro model, one of machine-learning interatomic potentials using the equivariant deep neural network, to calculate lattice…
Tracking Surface Charge Dynamics on Single Nanoparticles
Ritika Dagar, Wenbin Zhang, Philipp Rosenberger +16
Surface charges play a fundamental role in physics and chemistry, particularly in shaping the catalytic properties of nanomaterials. Tracking nanoscale surface charge dynamics rema…