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147 results

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Page 1
Chemical physics software.
Sherrill CD, Manolopoulos DE, Martínez TJ, Ceriotti M, Michaelides A. Sherrill CD, et al. Among authors: ceriotti m. J Chem Phys. 2021 Jul 7;155(1):010401. doi: 10.1063/5.0059886. J Chem Phys. 2021. PMID: 34241402 No abstract available.
Introduction: Machine Learning at the Atomic Scale.
Ceriotti M, Clementi C, Anatole von Lilienfeld O. Ceriotti M, et al. Chem Rev. 2021 Aug 25;121(16):9719-9721. doi: 10.1021/acs.chemrev.1c00598. Chem Rev. 2021. PMID: 34428897 No abstract available.
The Comet Interceptor Mission.
Jones GH, Snodgrass C, Tubiana C, Küppers M, Kawakita H, Lara LM, Agarwal J, André N, Attree N, Auster U, Bagnulo S, Bannister M, Beth A, Bowles N, Coates A, Colangeli L, Corral van Damme C, Da Deppo V, De Keyser J, Della Corte V, Edberg N, El-Maarry MR, Faggi S, Fulle M, Funase R, Galand M, Goetz C, Groussin O, Guilbert-Lepoutre A, Henri P, Kasahara S, Kereszturi A, Kidger M, Knight M, Kokotanekova R, Kolmasova I, Kossacki K, Kührt E, Kwon Y, La Forgia F, Levasseur-Regourd AC, Lippi M, Longobardo A, Marschall R, Morawski M, Muñoz O, Näsilä A, Nilsson H, Opitom C, Pajusalu M, Pommerol A, Prech L, Rando N, Ratti F, Rothkaehl H, Rotundi A, Rubin M, Sakatani N, Sánchez JP, Simon Wedlund C, Stankov A, Thomas N, Toth I, Villanueva G, Vincent JB, Volwerk M, Wurz P, Wielders A, Yoshioka K, Aleksiejuk K, Alvarez F, Amoros C, Aslam S, Atamaniuk B, Baran J, Barciński T, Beck T, Behnke T, Berglund M, Bertini I, Bieda M, Binczyk P, Busch MD, Cacovean A, Capria MT, Carr C, Castro Marín JM, Ceriotti M, Chioetto P, Chuchra-Konrad A, Cocola L, Colin F, Crews C, Cripps V, Cupido E, Dassatti A, Davidsson BJR, De Roche T, Deca J, Del Togno S, Dhooghe F, Donaldson Hanna K, Eriksson A, Fedorov … See abstract for full author list ➔ Jones GH, et al. Among authors: ceriotti m. Space Sci Rev. 2024;220(1):9. doi: 10.1007/s11214-023-01035-0. Epub 2024 Jan 24. Space Sci Rev. 2024. PMID: 38282745 Free PMC article. Review.
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.
Machine learning meets chemical physics.
Ceriotti M, Clementi C, Anatole von Lilienfeld O. Ceriotti M, et al. J Chem Phys. 2021 Apr 28;154(16):160401. doi: 10.1063/5.0051418. J Chem Phys. 2021. PMID: 33940847
Accelerated chemical science with AI.
Back S, Aspuru-Guzik A, Ceriotti M, Gryn'ova G, Grzybowski B, Gu GH, Hein J, Hippalgaonkar K, Hormázabal R, Jung Y, Kim S, Kim WY, Moosavi SM, Noh J, Park C, Schrier J, Schwaller P, Tsuda K, Vegge T, von Lilienfeld OA, Walsh A. Back S, et al. Among authors: ceriotti m. Digit Discov. 2023 Dec 6;3(1):23-33. doi: 10.1039/d3dd00213f. eCollection 2024 Jan 17. Digit Discov. 2023. PMID: 38239898 Free PMC article. Review.
2020 JCP Emerging Investigator Special Collection.
Ceriotti M, Jensen L, Manolopoulos DE, Martinez TJ, Michaelides A, Ogilvie JP, Reichman DR, Shi Q, Straub JE, Vega C, Wang LS, Weiss E, Zhu X, Stein JL, Lian T. Ceriotti M, et al. J Chem Phys. 2021 Dec 21;155(23):230401. doi: 10.1063/5.0078934. J Chem Phys. 2021. PMID: 34937385 No abstract available.
Physics-Inspired Equivariant Descriptors of Nonbonded Interactions.
Huguenin-Dumittan KK, Loche P, Haoran N, Ceriotti M. Huguenin-Dumittan KK, et al. Among authors: ceriotti m. J Phys Chem Lett. 2023 Nov 2;14(43):9612-9618. doi: 10.1021/acs.jpclett.3c02375. Epub 2023 Oct 20. J Phys Chem Lett. 2023. PMID: 37862712 Free PMC article.
Electron density learning of non-covalent systems.
Fabrizio A, Grisafi A, Meyer B, Ceriotti M, Corminboeuf C. Fabrizio A, et al. Among authors: ceriotti m. Chem Sci. 2019 Sep 9;10(41):9424-9432. doi: 10.1039/c9sc02696g. eCollection 2019 Nov 7. Chem Sci. 2019. PMID: 32055318 Free PMC article.
Incompleteness of Atomic Structure Representations.
Pozdnyakov SN, Willatt MJ, Bartók AP, Ortner C, Csányi G, Ceriotti M. Pozdnyakov SN, et al. Among authors: ceriotti m. Phys Rev Lett. 2020 Oct 16;125(16):166001. doi: 10.1103/PhysRevLett.125.166001. Phys Rev Lett. 2020. PMID: 33124874
147 results