PeerJ Author 405 Points Contributions by role Author 405 Contributions by subject area Theoretical and Computational Chemistry Physical Chemistry (other) Maria H Rasmussen PeerJ Author Summary Theoretical & Computational Chemistry Past or current institution affiliations University of Copenhagen PeerJ Contributions Articles 3 March 16, 2022 Fast and automated identification of reactions with low barriers using meta-MD simulations Maria H. Rasmussen, Jan H. Jensen https://doi.org/10.7717/peerj-pchem.22 September 29, 2020 Fast and automatic estimation of transition state structures using tight binding quantum chemical calculations Maria H. Rasmussen, Jan H. Jensen https://doi.org/10.7717/peerj-pchem.15 July 31, 2020 Chemical space exploration: how genetic algorithms find the needle in the haystack Emilie S. Henault, Maria H. Rasmussen, Jan H. Jensen https://doi.org/10.7717/peerj-pchem.11
