First-Principles Simulation of Beam-Induced Processes Underlying Atomic Manipulation in Electron Microscopes Journal May, 2024
Scaling Ensembles of Data-Intensive Quantum Chemical Calculations for Millions of Molecules Conference Paper May, 2024
Direct Fabrication of Atomically Defined Pores in MXenes Using Feedback-Driven STEM Journal May, 2024
Chemistry Informed Machine Learning-Based Heat Capacity Prediction of Solid Mixed Oxides Journal April, 2024
Structural mode coupling in perovskite oxides using hypothesis-driven active learning... Journal April, 2024
Block Mott insulating state induced by next-nearest-neighbor hopping in the 𝑆=3/2 zigzag chain BaCoTe2O7 Journal April, 2024
Large-scale atomistic model construction of subbituminous and bituminous coals for solvent extraction simulations with reactive molecular dynamics Journal March, 2024
