Pushing Quantum Chemistry by Advancing Photoswitchable Catalysis

Deliverables

Open Research Data Pilot (1)

Data Management Plan

Creation and submission of a Data Management Plan

Publications

Peer reviewed articles (1)

Hamiltonian-reservoir Replica Exchange and Machine Learning Potentials for Computational Organic Chemistry

Author(s): Raimon Fabregat, Alberto Fabrizio, Benjamin Meyer, Daniel Hollas, Clémence Corminboeuf
Published in: Journal of Chemical Theory and Computation, 2020, ISSN 1549-9618
DOI: 10.1021/acs.jctc.0c00100