Publications
Designing hierarchical molecular complexity: icosahedra of addressable icosahedra
Molecular Physics
(2018)
116
2954
Exploiting sparsity in free energy basin-hopping
Chemical Physics Letters
(2017)
685
288
(doi: 10.1016/j.cplett.2017.07.081)
Exploring biomolecular energy landscapes.
Chemical communications (Cambridge, England)
(2017)
53
6974
(doi: 10.1039/c7cc02413d)
GPU-Accelerated Exploration of Biomolecular Energy Landscapes
J Chem Theory Comput
(2016)
12
6182
(doi: 10.1021/acs.jctc.6b00934)
