29 citations · 38 across the 2 of their papers we have counts for
2 papers
physics.chem-ph2023★ 29 cited
TREXIO: A File Format and Library for Quantum Chemistry
Evgeny Posenitskiy, Vijay Gopal Chilkuri, Abdallah Ammar +13
TREXIO is an open-source file format and library developed for the storage and manipulation of data produced by quantum chemistry calculations. It is designed with the goal of prov…
physics.chem-ph2021★ 9 cited
Hydrogenation of C carbon clusters : structural diversity and energetic properties
Paula Pla, Clément Dubosq, Mathias Rapacioli +3
This work aims at exploring the potential energy surfaces of CH{n=0,6,12,18,24} up to 20-25\,eV using the genetic algorithm in combination with the density functional ba…