3 papers
physics.chem-ph2026
Simulating Exciton Transport with Complex Absorbing Potentials
Dimitri Bazile, Justin Caram, Chern Chuang +1
We introduce a stochastic framework based on complex absorbing potentials (CAPs) to investigate exciton transport in large molecular aggregates. Within this approach, CAPs act as n…
physics.chem-ph2026
Stochastic GW with the Orthogonalized Projector Augmented Wave Method
Dimitri Bazile, Minh Nguyen, Yuji Kon +2
We introduce stochastic GW with the orthogonalized projector augmented-wave method (OPAW-sGW). This implementation enables accurate quasiparticle band gaps on significantly coarser…
physics.chem-ph2026
StochasticGW-GPU: rapid quasi-particle energies for molecules beyond 10000 atoms
Phillip S. Thomas, Minh Nguyen, Dimitri Bazile +6
is a code for computing accurate Quasi-Particle (QP) energies of molecules and material systems in the GW approximation. utilizes th…