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Soft Matter|July 10, 2014
Growth of equilibrium structures built from a large number of distinct component typesLester O Hedges, Ranjan V Mannige, Stephen WhitelamMolecules (Basel, Switzerland)|December 1, 2020
Insights into the Structure and Energy of DNA NanoassembliesAndreas Jaekel, Pascal Lill, Stephen Whitelam, et al.The Journal of Physical Chemistry Letters|August 18, 2015
Simultaneous Determination of Structures, Vibrations, and Frontier Orbital Energies from a Self-Consistent Range-Separated Hybrid FunctionalIsaac Tamblyn, Sivan Refaely-Abramson, Jeffrey B Neaton, et al.Journal of Chemical Theory and Computation|January 7, 2022
Toward Orbital-Free Density Functional Theory with Small Data Sets and Deep LearningKevin Ryczko, Sebastian J Wetzel, Roger G Melko, et al.Science (New York, N.Y.)|May 26, 2012
Real-time imaging of Pt3Fe nanorod growth in solutionHong-Gang Liao, Likun Cui, Stephen Whitelam, et al.The Journal of Physical Chemistry. A|June 25, 2014
A density functional tight binding model with an extended basis set and three-body repulsion for hydrogen under extreme thermodynamic conditionsSriram Goverapet Srinivasan, Nir Goldman, Isaac Tamblyn, et al.Physical Review. E|May 20, 2018
Rare behavior of growth processes via umbrella sampling of trajectoriesKatherine Klymko, Phillip L Geissler, Juan P Garrahan, et al.Chemical Science|November 25, 2021
Golem: an algorithm for robust experiment and process optimizationMatteo Aldeghi, Florian Häse, Riley J Hickman, et al.Chemical Science|April 25, 2019
Extensive deep neural networks for transferring small scale learning to large scale systemsKyle Mills, Kevin Ryczko, Iryna Luchak, et al.The Journal of Chemical Physics|August 3, 2021
Neural evolution structure generation: High entropy alloysConrard Giresse Tetsassi Feugmo, Kevin Ryczko, Abu Anand, et al.Pageof 12