28 citations · 28 across the 2 of their papers we have counts for
2 papers
physics.chem-ph2024
Very-Large-Scale GPU-Accelerated Nuclear Gradient of Time-Dependent Density Functional Theory with Tamm-Dancoff Approximation and Range-Separated Hybrid Functionals
Inkoo Kim, Daun Jeong, Leah Weisburn +11
Modern graphics processing units (GPUs) provide an unprecedented level of computing power. In this study, we present a high-performance, multi-GPU implementation of the analytical…
physics.chem-ph2015★ 28 cited
Orbital Optimization in the Active Space Decomposition Model
Inkoo Kim, Shane M. Parker, Toru Shiozaki
We report the derivation and implementation of orbital optimization algorithms for the active space decomposition (ASD) model, which are extensions of complete active space self-co…