most citedAccelerating point defect simulations using data-driven and machine learning approaches

2 citations · 2 across the 2 of their papers we have counts for

collaborators

2 papers

cond-mat.mtrl-sci2026★ 2 cited

Accelerating point defect simulations using data-driven and machine learning approaches

Arun Mannodi-Kanakkithodi, Menglin Huang, Prashun Gorai +1

Point defects in solid-state materials are now routinely simulated using large supercell structures, requiring efficient quantum mechanical solutions. Data-driven and machine learn…

physics.chem-ph2024

Forte: A Suite of Advanced Multireference Quantum Chemistry Methods

Francesco A. Evangelista, Chenyang Li, Prakash Verma +14

Forte is an open-source library specialized in multireference electronic structure theories for molecular systems and the rapid prototyping of new methods. This paper gives an over…