Elucidation of the Active Site for the Oxygen Evolution Reaction on a Single Pt Atom Supported on Indium Tin Oxide Publications The Journal of Physical Chemistry Letters
Uncertainties in Ab Initio Nuclear Structure Calculations with Chiral Interactions Publications Frontiers in Physics
Long Time Scale Ensemble Methods in Molecular Dynamics: Ligand–Protein Interactions and Allostery in SARS-CoV-2 Targets Publications Journal of Chemical Theory and Computation
Pressure-Controlled Layer-by-Layer to Continuous Oxidation of ZrS2(001) Surface Publications ACS Nano
Allegro-Legato: Scalable, Fast, and Robust Neural-Network Quantum Molecular Dynamics via Sharpness-Aware Minimization Publications ISC High Performance 2023: High Performance Computing
Unpolarized Proton PDF at NNLO from Lattice QCD with Physical Quark Masses Publications Physical Review D
