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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. Among authors: manolopoulos de. J Chem Phys. 2023 Feb 14;158(6):060401. doi: 10.1063/5.0143234. J Chem Phys. 2023. PMID: 36792492 No abstract available.
A smooth basis for atomistic machine learning.
Bigi F, Huguenin-Dumittan KK, Ceriotti M, Manolopoulos DE. Bigi F, et al. Among authors: manolopoulos de. J Chem Phys. 2022 Dec 21;157(23):234101. doi: 10.1063/5.0124363. J Chem Phys. 2022. PMID: 36550032
A multi-state mapping approach to surface hopping.
Runeson JE, Manolopoulos DE. Runeson JE, et al. Among authors: manolopoulos de. J Chem Phys. 2023 Sep 7;159(9):094115. doi: 10.1063/5.0158147. J Chem Phys. 2023. PMID: 37675848
Fast Quasi-Centroid Molecular Dynamics for Water and Ice.
Lawrence JE, Lieberherr AZ, Fletcher T, Manolopoulos DE. Lawrence JE, et al. Among authors: manolopoulos de. J Phys Chem B. 2023 Oct 26;127(42):9172-9180. doi: 10.1021/acs.jpcb.3c05028. Epub 2023 Oct 13. J Phys Chem B. 2023. PMID: 37830934 Free PMC article.
90 results