Baptiste Démoulin

Newton-X Platform: New Software Developments for Surface Hopping and Nuclear Ensembles

Mario Barbatti, Mattia Bondanza, Rachel Crespo‐Otero et al. · Journal of Chemical Theory and Computation · 2022 · 116 citations · Full text

Engineering, Nuclear Physics, Particle Method +21

A New Benchmark Set for Excitation Energy of Charge Transfer States: Systematic Investigation of Coupled Cluster Type Methods

Balázs Kozma, Attila Tajti, Baptiste Démoulin et al. · Journal of Chemical Theory and Computation · 2020 · 83 citations · Full text

Localized Excited State, Engineering, Excitation Energy Transfer +19

A domain-based local pair natural orbital implementation of the equation of motion coupled cluster method for electron attached states

Achintya Kumar Dutta, Masaaki Saitow, Baptiste Démoulin et al. · The Journal of Chemical Physics · 2019 · 80 citations

Electron Affinities, Cluster Science, Singles Pnos +14

Simulations of molecular photodynamics in long timescales

Saikat Mukherjee, Max Pinheiro, Baptiste Démoulin et al. · Philosophical Transactions of the Royal Society A Mathematical Physical and Engineering Sciences · 2022 · 31 citations · Full text

Multilayer Approach to the IP-EOM-DLPNO-CCSD Method: Theory, Implementation, and Application

Soumi Haldar, Christoph Riplinger, Baptiste Démoulin et al. · Journal of Chemical Theory and Computation · 2019 · 29 citations

Numerical Analysis, Engineering, Physics +15