3 citations · 3 across the 4 of their papers we have counts for
4 papers
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…
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…
Allegro-Legato: Scalable, Fast, and Robust Neural-Network Quantum Molecular Dynamics via Sharpness-Aware Minimization
Hikaru Ibayashi, Taufeq Mohammed Razakh, Liqiu Yang +8
Neural-network quantum molecular dynamics (NNQMD) simulations based on machine learning are revolutionizing atomistic simulations of materials by providing quantum-mechanical accur…
Pressure-Dependent Layer-by-Layer Oxidation of ZrS2(001) Surface
Liqiu Yang, Rafael Jaramillo, Rajiv K. Kalia +2
Understanding oxidation mechanisms of layered semiconducting transition-metal dichalcogenide (TMDC) is important not only for controlling native oxide formation but also for synthe…