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2021 JCP Emerging Investigator Special Collection.
Ceriotti M, Jensen L, Manolopoulos DE, Martinez T, Reichman DR, Sciortino F, Sherrill CD, Shi Q, Vega C, Wang LS, Weiss EA, Zhu X, Stein J, Lian T. Ceriotti M, et al. J Chem Phys. 2023 Feb 14;158(6):060401. doi: 10.1063/5.0143234. J Chem Phys. 2023. PMID: 36792492 No abstract available.
Assessment of Approximate Methods for Anharmonic Free Energies.
Kapil V, Engel E, Rossi M, Ceriotti M. Kapil V, et al. Among authors: ceriotti m. J Chem Theory Comput. 2019 Nov 12;15(11):5845-5857. doi: 10.1021/acs.jctc.9b00596. Epub 2019 Oct 8. J Chem Theory Comput. 2019. PMID: 31532997
Ab initio thermodynamics of liquid and solid water.
Cheng B, Engel EA, Behler J, Dellago C, Ceriotti M. Cheng B, et al. Among authors: ceriotti m. Proc Natl Acad Sci U S A. 2019 Jan 22;116(4):1110-1115. doi: 10.1073/pnas.1815117116. Epub 2019 Jan 4. Proc Natl Acad Sci U S A. 2019. PMID: 30610171 Free PMC article.
Machine Learning Force Fields and Coarse-Grained Variables in Molecular Dynamics: Application to Materials and Biological Systems.
Gkeka P, Stoltz G, Barati Farimani A, Belkacemi Z, Ceriotti M, Chodera JD, Dinner AR, Ferguson AL, Maillet JB, Minoux H, Peter C, Pietrucci F, Silveira A, Tkatchenko A, Trstanova Z, Wiewiora R, Lelièvre T. Gkeka P, et al. Among authors: ceriotti m. J Chem Theory Comput. 2020 Aug 11;16(8):4757-4775. doi: 10.1021/acs.jctc.0c00355. Epub 2020 Jul 16. J Chem Theory Comput. 2020. PMID: 32559068 Free PMC article. Review.
143 results