General Formalism of Vibronic Hamiltonians for Tetrahedral and Octahedral Systems: Problems That Involve T, E States and t, e Vibrations T Zeng, RJ Hickman, A Kadri, I Seidu Journal of chemical theory and computation 13 (10), 5004-5018, 2017 | 10 | 2017 |
General formalism for vibronic Hamiltonians in tetragonal symmetry and beyond RJ Hickman, RA Lang, T Zeng Physical Chemistry Chemical Physics 20 (17), 12312-12322, 2018 | 7 | 2018 |
A molecular computing approach to solving optimization problems via programmable microdroplet arrays SY Guo, P Friederich, Y Cao, T Wu, C Forman, D Mendoza, M Degroote, ... ChemRxiv, 2019 | 3 | 2019 |
Data-Driven Strategies for Accelerated Materials Design R Pollice, G dos Passos Gomes, M Aldeghi, RJ Hickman, M Krenn, ... Accounts of Chemical Research, 1120-1127, 2021 | 2 | 2021 |
Olympus: a benchmarking framework for noisy optimization and experiment planning F Häse, M Aldeghi, RJ Hickman, LM Roch, M Christensen, E Liles, ... arXiv preprint arXiv:2010.04153, 2020 | 2 | 2020 |
Optical monitoring of polymerizations in droplets with high temporal dynamic range AC Cavell, VK Krasecki, G Li, A Sharma, H Sun, MP Thompson, ... Chemical Science 11 (10), 2647-2656, 2020 | 2 | 2020 |
VHEGEN: A vibronic Hamiltonian expansion generator for trigonal and tetragonal polyatomic systems RA Lang, RJ Hickman, T Zeng Computer Physics Communications, 2019 | 1 | 2019 |
Assigning Confidence to Molecular Property Prediction AK Nigam, R Pollice, MFD Hurley, RJ Hickman, M Aldeghi, N Yoshikawa, ... arXiv preprint arXiv:2102.11439, 2021 | | 2021 |
Automated generation of benchmark sets guided by a Bayesian decision maker C Stein, J Proppe, T Gaudin, R Hickman, M Head-Gordon, ... ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 258, 2019 | | 2019 |
General formalism for vibronic Hamiltonians in tetragonal symmetry and beyond T Zeng, RJ Hickman, R Lang Royal Society of Chemistry, 2018 | | 2018 |
General formalism for vibronic Hamiltonians in tetragonal symmetry and beyond Supporting Information RJ Hickman, RA Lang, T Zeng | | |