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Computational Insights into Materials and Interfaces for Capacitive Energy Storage.
Zhan C, Lian C, Zhang Y, Thompson MW, Xie Y, Wu J, Kent PRC, Cummings PT, Jiang DE, Wesolowski DJ. Zhan C, et al. Among authors: thompson mw. Adv Sci (Weinh). 2017 Apr 24;4(7):1700059. doi: 10.1002/advs.201700059. eCollection 2017 Jul. Adv Sci (Weinh). 2017. PMID: 28725531 Free PMC article. Review.
In situ investigation of water on MXene interfaces.
Zaman W, Matsumoto RA, Thompson MW, Liu YH, Bootwala Y, Dixit MB, Nemsak S, Crumlin E, Hatzell MC, Cummings PT, Hatzell KB. Zaman W, et al. Among authors: thompson mw. Proc Natl Acad Sci U S A. 2021 Dec 7;118(49):e2108325118. doi: 10.1073/pnas.2108325118. Proc Natl Acad Sci U S A. 2021. PMID: 34845014 Free PMC article.
Tuning Potential Functions to Host-Guest Binding Data.
Setiadi J, Boothroyd S, Slochower DR, Dotson DL, Thompson MW, Wagner JR, Wang LP, Gilson MK. Setiadi J, et al. Among authors: thompson mw. J Chem Theory Comput. 2024 Jan 9;20(1):239-252. doi: 10.1021/acs.jctc.3c01050. Epub 2023 Dec 26. J Chem Theory Comput. 2024. PMID: 38147689
Development and Benchmarking of Open Force Field 2.0.0: The Sage Small Molecule Force Field.
Boothroyd S, Behara PK, Madin OC, Hahn DF, Jang H, Gapsys V, Wagner JR, Horton JT, Dotson DL, Thompson MW, Maat J, Gokey T, Wang LP, Cole DJ, Gilson MK, Chodera JD, Bayly CI, Shirts MR, Mobley DL. Boothroyd S, et al. Among authors: thompson mw. J Chem Theory Comput. 2023 Jun 13;19(11):3251-3275. doi: 10.1021/acs.jctc.3c00039. Epub 2023 May 11. J Chem Theory Comput. 2023. PMID: 37167319 Free PMC article.
Investigating the Accuracy of Water Models through the Van Hove Correlation Function.
Matsumoto RA, Thompson MW, Vuong VQ, Zhang W, Shinohara Y, van Duin ACT, Kent PRC, Irle S, Egami T, Cummings PT. Matsumoto RA, et al. Among authors: thompson mw. J Chem Theory Comput. 2021 Oct 12;17(10):5992-6005. doi: 10.1021/acs.jctc.1c00637. Epub 2021 Sep 13. J Chem Theory Comput. 2021. PMID: 34516134
12 results