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Optimal Replica-Exchange Molecular Simulations in Combination with Evolution Strategies.
J Chem Inf Model. 2022 Dec 26;62(24):6544-6552. doi: 10.1021/acs.jcim.2c00608. Epub 2022 Jul 3.
J Chem Inf Model. 2022.
PMID: 35785994
Pre-Smectic Ordering and the Unwinding Helix in Monte Carlo Simulations of Cholesteric Liquid-Crystals.
Brumby PE, Kowaguchi A, Nozawa T, Yasuoka K, Wensink HH.
Brumby PE, et al. Among authors: kowaguchi a.
J Phys Chem B. 2023 Aug 17;127(32):7194-7204. doi: 10.1021/acs.jpcb.3c02018. Epub 2023 Aug 4.
J Phys Chem B. 2023.
PMID: 37540189
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Phase Transitions and Hysteresis for a Simple Model Liquid Crystal by Replica-Exchange Monte Carlo Simulations.
Kowaguchi A, Brumby PE, Yasuoka K.
Kowaguchi A, et al.
Molecules. 2021 Mar 5;26(5):1421. doi: 10.3390/molecules26051421.
Molecules. 2021.
PMID: 33808039
Free PMC article.
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Hysteresis Elimination for an Anisotropic Liquid-Crystal Model via Molecule Design and Replica-Exchange Optimization.
Kowaguchi A, Brumby PE, Yasuoka K.
Kowaguchi A, et al.
J Chem Inf Model. 2024 Mar 25. doi: 10.1021/acs.jcim.4c00078. Online ahead of print.
J Chem Inf Model. 2024.
PMID: 38528664
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