H. C. Türk; X. Q. Tran; P. König; A. Hammud; V. Vibhu et al.
Advanced Energy Materials. 2025. DOI : 10.1002/aenm.202405599.W. B. How; S. Chong; F. Grasselli; K. K. Huguenin-Dumittan; M. Ceriotti
Physical Review Materials. 2025. Vol. 9, num. 1, p. 013802. DOI : 10.1103/PhysRevMaterials.9.013802.S. Pozdnyakov / M. Ceriotti (Dir.)
Lausanne, EPFL, 2025.M. F. Langer; S. N. Pozdnyakov; M. Ceriotti
Machine Learning: Science and Technology. 2024. Vol. 5, num. 4, p. 04LT01. DOI : 10.1088/2632-2153/ad86a0.A. S. Slavich; G. A. Ermolaev; M. K. Tatmyshevskiy; A. N. Toksumakov; O. G. Matveeva et al.
Light: Science and Applications. 2024. Vol. 13, num. 1, p. 68. DOI : 10.1038/s41377-024-01407-3.F. Bigi; S. Chong; M. Ceriotti; F. Grasselli
Machine Learning: Science and Technology. 2024. Vol. 5, num. 4, p. 045018. DOI : 10.1088/2632-2153/ad805f.E. Rumiantsev; K. Khrabrov; A. Tsypin; N. D. Peresypkin; R. R. Gimaev et al.
SCIENTIFIC REPORTS. 2024. Vol. 14, num. 1. DOI : 10.1038/s41598-024-71058-2.S. Chong; F. Bigi; F. Grasselli; P. R. Loche; M. L. Kellner et al.
Faraday Discussions. 2024. DOI : 10.1039/d4fd00101j.M. Duenas-Herrera; D. J. Bonthuis; P. Loche; R. R. Netz; L. Scalfi
JOURNAL OF CHEMICAL PHYSICS. 2024. Vol. 161, num. 7. DOI : 10.1063/5.0217998.A. Lin; K. K. Huguenin-Dumittan; Y. C. Cho; J. Nigam; R. K. Cersonsky
The Journal of chemical physics. 2024. Vol. 161, num. 7. DOI : 10.1063/5.0210910.Y. Litman; V. Kapil; Y. M. Feldman; D. Tisi; T. Begušić et al.
The Journal of chemical physics. 2024. Vol. 161, num. 6. DOI : 10.1063/5.0215869.M. Balodis; Y. Rao; G. Stevanato; M. Kellner; J. Meibom et al.
The journal of physical chemistry letters. 2024. Vol. 15, num. 31, p. 7954 – 7961. DOI : 10.1021/acs.jpclett.4c01588.F. Bigi; S. N. Pozdnyakov; M. Ceriotti
JOURNAL OF CHEMICAL PHYSICS. 2024. Vol. 161, num. 4. DOI : 10.1063/5.0208746.L. Gigli; A. Goscinski; M. Ceriotti; G. A. Tribello
Physical Review B. 2024. Vol. 110, num. 2, p. 024101. DOI : 10.1103/PhysRevB.110.024101.D. Tisi; F. Grasselli; L. Gigli; M. Ceriotti
Physical Review Materials. 2024. Vol. 8, num. 6, p. 065403. DOI : 10.1103/PhysRevMaterials.8.065403.A. Fiorentino; E. Drigo; S. Baroni; P. Pegolo
Physical Review B. 2024. Vol. 109, num. 22, p. 224202. DOI : 10.1103/PhysRevB.109.224202.A. Mazitov; M. A. Springer; N. Lopanitsyna; G. Fraux; S. De et al.
Journal Of Physics-Materials. 2024. Vol. 7, num. 2, p. 025007. DOI : 10.1088/2515-7639/ad2983.E. Cignoni; D. Suman; J. Nigam; L. Cupellini; B. Mennucci et al.
ACS Central Science. 2024. Vol. 10, num. 3, p. 637 – 648. DOI : 10.1021/acscentsci.3c01480.G. A. Ermolaev; K. V. Voronin; A. N. Toksumakov; D. V. Grudinin; I. M. Fradkin et al.
Nature Communications. 2024. Vol. 15, num. 1, p. 1552. DOI : 10.1038/s41467-024-45266-3.L. Gigli; D. Tisi; F. Grasselli; M. Ceriotti
Chemistry of Materials. 2024. Vol. 36, num. 3, p. 1482 – 1496. DOI : 10.1021/acs.chemmater.3c02726.J. Nigam / M. Ceriotti (Dir.)
Lausanne, EPFL, 2024.A. J. Goscinski / M. Ceriotti (Dir.)
Lausanne, EPFL, 2024.A. C. P. Jain; M. Ceriotti; W. A. Curtin
Journal Of Materials Research. 2023. DOI : 10.1557/s43578-023-01245-w.S. Back; A. Aspuru-Guzik; M. Ceriotti; G. Gryn’ova; B. Grzybowski et al.
Digital Discovery. 2023. Vol. 3, num. 1, p. 23 – 33. DOI : 10.1039/d3dd00213f.M. Nedyalkova; G. Russo; P. R. Loche; M. Lattuada
Journal Of Chemical Information And Modeling. 2023. Vol. 63, num. 23, p. 7453 – 7463. DOI : 10.1021/acs.jcim.3c01547.C. Zeni; A. Anelli; A. Glielmo; S. de Gironcoli; K. Rossi
Digital Discovery. 2023. Vol. 3, num. 1, p. 113 – 121. DOI : 10.1039/d3dd00155e.S. Chong; F. Grasselli; C. Ben Mahmoud; J. D. Morrow; V. L. Deringer et al.
Journal Of Chemical Theory And Computation. 2023. Vol. 19, num. 22, p. 8020 – 8031. DOI : 10.1021/acs.jctc.3c00704.K. K. Huguenin-Dumittan; P. R. Loche; N. Haoran; M. Ceriotti
Journal Of Physical Chemistry Letters. 2023. Vol. 14, num. 43, p. 9612 – 9618. DOI : 10.1021/acs.jpclett.3c02375.P. Pegolo; S. Baroni; F. Grasselli
Journal Of Chemical Physics. 2023. Vol. 159, num. 9, p. 094116. DOI : 10.1063/5.0169474.A. A. Vyshnevyy; G. A. Ermolaev; D. V. Grudinin; K. V. Voronin; I. Kharichkin et al.
Nano Letters. 2023. Vol. 23, num. 17, p. 8057 – 8064. DOI : 10.1021/acs.nanolett.3c02051.F. Bigi; G. Fraux; N. J. Browning; M. Ceriotti
Journal Of Chemical Physics. 2023. Vol. 159, num. 6, p. 064802. DOI : 10.1063/5.0156307.N. Lopanitsyna; G. Fraux; M. A. Springer; S. De; M. Ceriotti
Physical Review Materials. 2023. Vol. 7, num. 4, p. 045802. DOI : 10.1103/PhysRevMaterials.7.045802.R. K. Cersonsky; M. Pakhnova; E. A. Engel; M. Ceriotti
Chemical Science. 2023. Vol. 14, num. 5, p. 1272 – 1285. DOI : 10.1039/d2sc06198h.M. Becker; P. R. Loche; M. Rezaei; A. Wolde-Kidan; Y. Uematsu et al.
Chemical Reviews. 2023. Vol. 124, num. 1, p. 1 – 26. DOI : 10.1021/acs.chemrev.3c00307.C. Ben Mahmoud / M. Ceriotti (Dir.)
Lausanne, EPFL, 2023.N. Lopanitsyna / M. Ceriotti (Dir.)
Lausanne, EPFL, 2023.M. R. Becker; P. Loche; R. R. Netz
Journal Of Chemical Physics. 2022. Vol. 157, num. 24, p. 240902. DOI : 10.1063/5.0127869.F. Bigi; K. K. Huguenin-Dumittan; M. Ceriotti; D. E. Manolopoulos
Journal Of Chemical Physics. 2022. Vol. 157, num. 23, p. 234101. DOI : 10.1063/5.0124363.S. N. N. Pozdnyakov; M. J. J. Willatt; A. P. P. Bartok; C. Ortner; G. Csanyi et al.
Journal Of Chemical Physics. 2022. Vol. 157, num. 17, p. 177101. DOI : 10.1063/5.0088404.L. Gigli; M. Veit; M. Kotiuga; G. Pizzi; N. Marzari et al.
Npj Computational Materials. 2022. Vol. 8, num. 1, p. 209. DOI : 10.1038/s41524-022-00845-0.C. Ben Mahmoud; F. Grasselli; M. Ceriotti
Physical Review B. 2022. Vol. 106, num. 12, p. L121116. DOI : 10.1103/PhysRevB.106.L121116.M. Cordova; E. A. Engel; A. Stefaniuk; F. Paruzzo; A. Hofstetter et al.
Journal Of Physical Chemistry C. 2022. Vol. 126, num. 39, p. 16710 – 16720. DOI : 10.1021/acs.jpcc.2c03854.P. Loche; L. Scalfi; M. A. Amu; O. Schullian; D. J. Bonthuis et al.
Journal Of Chemical Physics. 2022. Vol. 157, num. 9, p. 094707. DOI : 10.1063/5.0101509.H. J. Kulik; T. Hammerschmidt; J. Schmidt; S. Botti; M. A. L. Marques et al.
Electronic Structure. 2022. Vol. 4, num. 2, p. 023004. DOI : 10.1088/2516-1075/ac572f.J. Nigam; S. Pozdnyakov; G. Fraux; M. Ceriotti
Journal Of Chemical Physics. 2022. Vol. 156, num. 20, p. 204115. DOI : 10.1063/5.0087042.P. Loche; D. J. Bonthuis; R. R. Netz
Communications Chemistry. 2022. Vol. 5, num. 1, p. 55. DOI : 10.1038/s42004-022-00669-5.P. Pegolo; S. Baroni; F. Grasselli
Npj Computational Materials. 2022. Vol. 8, num. 1, p. 24. DOI : 10.1038/s41524-021-00693-4.J. Nigam; M. J. Willatt; M. Ceriotti
Journal Of Chemical Physics. 2022. Vol. 156, num. 1, p. 014115. DOI : 10.1063/5.0072784.B. A. Helfrecht; G. Pireddu; R. Semino; S. Auerbach; M. Ceriotti
Digital Discovery. 2022. Vol. 1, num. 6, p. 779 – 789. DOI : 10.1039/D2DD00056C.Y. Zhou; R. K. Cersonsky; S. C. Glotzer
Soft Matter. 2022. Vol. 18, num. 2, p. 304 – 311. DOI : 10.1039/d1sm01418h.R. Fabregat; A. Fabrizio; E. A. Engel; B. Meyer; V. Juraskova et al.
Journal of Chemical Theory and Computation. 2022. Vol. 18, num. 3, p. 1467 – 1479. DOI : 10.1021/acs.jctc.1c00813.P. Pegolo; S. Baroni; F. Grasselli
Annalen Der Physik. 2022. p. 2200123. DOI : 10.1002/andp.202200123.D. Maksimov / M. Ceriotti; M. Rossi Carvalho (Dir.)
Lausanne, EPFL, 2022.M. Ceriotti; L. Jensen; D. E. Manolopoulos; T. J. Martinez; A. Michaelides et al.
Journal Of Chemical Physics. 2021. Vol. 155, num. 23, p. 230401. DOI : 10.1063/5.0078934.B. Cheng; G. Mazzola; C. J. Pickard; M. Ceriotti
Nature. 2021. Vol. 600, num. 7889, p. E15 – E16. DOI : 10.1038/s41586-021-04079-w.A. M. Lewis; A. Grisafi; M. Ceriotti; M. Rossi
Journal Of Chemical Theory And Computation. 2021. Vol. 17, num. 11, p. 7203 – 7214. DOI : 10.1021/acs.jctc.1c00576.M. Cordova; M. Balodis; B. S. de Almeida; M. Ceriotti; L. Emsley
Science Advances. 2021. Vol. 7, num. 48, p. eabk2341. DOI : 10.1126/sciadv.abk2341.A. Goscinski; F. Musil; S. Pozdnyakov; J. Nigam; M. Ceriotti
Journal Of Chemical Physics. 2021. Vol. 155, num. 10, p. e104106. DOI : 10.1063/5.0057229.R. K. Cersonsky; B. A. Helfrecht; E. A. Engel; S. Kliavinek; M. Ceriotti
Machine Learning-Science And Technology. 2021. Vol. 2, num. 3, p. 035038. DOI : 10.1088/2632-2153/abfe7c.M. Ceriotti; C. Clementi; O. A. von Lilienfeld
Chemical Reviews. 2021. Vol. 121, num. 16, p. 9719 – 9721. DOI : 10.1021/acs.chemrev.1c00598.E. A. Engel; V. Kapil; M. Ceriotti
Journal Of Physical Chemistry Letters. 2021. Vol. 12, num. 32, p. 7701 – 7707. DOI : 10.1021/acs.jpclett.1c01987.A. Kundu; M. Govoni; H. Yang; M. Ceriotti; F. Gygi et al.
Physical Review Materials. 2021. Vol. 5, num. 7, p. L070801. DOI : 10.1103/PhysRevMaterials.5.L070801.C. D. Sherrill; D. E. Manolopoulos; T. J. Martinez; M. Ceriotti; A. Michaelides
Journal Of Chemical Physics. 2021. Vol. 155, num. 1, p. 010401. DOI : 10.1063/5.0059886.F. Giberti; G. A. Tribello; M. Ceriotti
Journal Of Chemical Theory And Computation. 2021. Vol. 17, num. 6, p. 3292 – 3308. DOI : 10.1021/acs.jctc.0c01177.A. Goscinski; G. Fraux; G. Imbalzano; M. Ceriotti
Machine Learning-Science And Technology. 2021. Vol. 2, num. 2, p. 025028. DOI : 10.1088/2632-2153/abdaf7.A. C. P. Jain; D. Marchand; A. Glensk; M. Ceriotti; W. A. Curtin
Physical Review Materials. 2021. Vol. 5, num. 5, p. 053805. DOI : 10.1103/PhysRevMaterials.5.053805.M. Ceriotti; C. Clementi; O. Anatole von Lilienfeld
Journal Of Chemical Physics. 2021. Vol. 154, num. 16, p. 160401. DOI : 10.1063/5.0051418.V. L. Deringer; N. Bernstein; G. Csányi; C. Ben Mahmoud; M. Ceriotti et al.
Nature. 2021. Vol. 589, num. 7840, p. 59 – 64. DOI : 10.1038/s41586-020-03072-z.G. Imbalzano; Y. Zhuang; V. Kapil; K. Rossi; E. A. Engel et al.
The Journal of Chemical Physics. 2021. Vol. 154, num. 7, p. 074102. DOI : 10.1063/5.0036522.N. Lopanitsyna; C. Ben Mahmoud; M. Ceriotti
Physical Review Materials. 2021. Vol. 5, num. 4, p. 043802. DOI : 10.1103/PhysRevMaterials.5.043802.F. Musil; M. Veit; A. Goscinski; G. Fraux; M. J. Willatt et al.
The Journal of Chemical Physics. 2021. Vol. 154, num. 11, p. 114109. DOI : 10.1063/5.0044689.J. Lan; V. Kapil; P. Gasparotto; M. Ceriotti; M. Iannuzzi et al.
Nature Communications. 2021. Vol. 12, num. 1, p. 766. DOI : 10.1038/s41467-021-20914-0.S. N. Pozdnyakov; L. Zhang; C. Ortner; G. Csányi; M. Ceriotti
Open Research Europe. 2021. Vol. 1, p. 1 – 22, 126. DOI : 10.12688/openreseurope.14156.1.A. Grisafi; J. Nigam; M. Ceriotti
Chemical Science. 2021. Vol. 12, num. 6, p. 2078 – 2090. DOI : 10.1039/D0SC04934D.F. Musil; A. Grisafi; A. P. Bartok; C. Ortner; G. Csanyi et al.
Chemical Reviews. 2021. Vol. 121, num. 16, p. 9759 – 9815. DOI : 10.1021/acs.chemrev.1c00021.V. L. Deringer; A. P. Bartok; N. Bernstein; D. M. Wilkins; M. Ceriotti et al.
Chemical Reviews. 2021. Vol. 121, num. 16, p. 10073 – 10141. DOI : 10.1021/acs.chemrev.1c00022.A. Grisafi / M. Ceriotti (Dir.)
Lausanne, EPFL, 2021.G. Imbalzano / M. Ceriotti (Dir.)
Lausanne, EPFL, 2021.F. B. C. Musil / M. Ceriotti (Dir.)
Lausanne, EPFL, 2021.B. A. Helfrecht / M. Ceriotti (Dir.)
Lausanne, EPFL, 2021.C. Ben Mahmoud; A. Anelli; G. Csanyi; M. Ceriotti
Physical Review B. 2020. Vol. 102, num. 23, p. 235130. DOI : 10.1103/PhysRevB.102.235130.P. Pegolo; F. Grasselli; S. Baroni
Physical Review X. 2020. Vol. 10, num. 4, p. 041031. DOI : 10.1103/PhysRevX.10.041031.S. N. Pozdnyakov; M. J. Willatt; A. P. Bartok; C. Ortner; G. Csanyi et al.
Physical Review Letters. 2020. Vol. 125, num. 16, p. 166001. DOI : 10.1103/PhysRevLett.125.166001.M. Dakhchoune; L. F. Villalobos; R. Semino; L. Liu; M. Rezaei et al.
Nature Materials. 2020. Vol. 20, num. 3, p. 362 – 369. DOI : 10.1038/s41563-020-00822-2.J. Fine; M. Muhoberac; G. Fraux; G. Chopra
Journal Of Chemical Information And Modeling. 2020. Vol. 60, num. 9, p. 4137 – 4143. DOI : 10.1021/acs.jcim.0c00122.K. Rossi; V. Juraskova; R. Wischert; L. Garel; C. Corminboeuf et al.
Journal Of Chemical Theory And Computation. 2020. Vol. 16, num. 8, p. 5139 – 5149. DOI : 10.1021/acs.jctc.0c00362.P. Gkeka; G. Stoltz; A. B. Farimani; Z. Belkacemi; M. Ceriotti et al.
Journal Of Chemical Theory And Computation. 2020. Vol. 16, num. 8, p. 4757 – 4775. DOI : 10.1021/acs.jctc.0c00355.