Michele Ceriotti (M Ceriotti)

Scopus Author ID ORCID

Publication Activity (10 Years)

Years Active: 2017-2024
Publications (10 Years): 73

Top Venues

The Journal of chemical physics

Journal of chemical theory and computation

Chemical science

Open research Europe

École Polytechnique Fédérale de Lausanne

This page only lists publications with an associated author ORCID identifier.

Affiliation History

École Polytechnique Fédérale de Lausanne Nov 01 2013

Switzerland

Assistant Professor :: Institute of Materials

University of Oxford Jan 01 2011 - Oct 30 2013

United Kingdom

Post-Doctoral Researcher :: Physical and Theoretical Chemistry

Publications

Lorenzo Gigli, Davide Tisi, Federico Grasselli, Michele Ceriotti
Mechanism of Charge Transport in Lithium Thiophosphate. Chemistry of materials : a publication of the American Chemical Society 36 (3) (2024)
Edoardo Cignoni, Divya Suman, Jigyasa Nigam, Lorenzo Cupellini, Benedetta Mennucci, Michele Ceriotti
Electronic Excited States from Physically Constrained Machine Learning. ACS central science 10 (3) (2024)
Lorenzo Gigli, Davide Tisi, Federico Grasselli, Michele Ceriotti
Mechanism of Charge Transport in Lithium Thiophosphate. Chemistry of materials : a publication of the American Chemical Society 36 (3) (2024)
Edoardo Cignoni, Divya Suman, Jigyasa Nigam, Lorenzo Cupellini, Benedetta Mennucci, Michele Ceriotti
Electronic Excited States from Physically Constrained Machine Learning. ACS central science 10 (3) (2024)
Seoin Back, Alán Aspuru-Guzik, Michele Ceriotti, Ganna Gryn'ova, Bartosz A Grzybowski, Geun Ho Gu, Jason E Hein, Kedar Hippalgaonkar, Rodrigo Hormázabal, Yousung Jung, Seonah Kim, Woo Youn Kim, Seyed Mohamad Moosavi, Juhwan Noh, Changyoung Park, Joshua Schrier, Philippe Schwaller, Koji Tsuda, Tejs Vegge, O Anatole von Lilienfeld, Aron Walsh
Accelerated chemical science with AI. Digital discovery 3 (1) (2023)
Kevin K Huguenin-Dumittan, Philip Loche, Ni Haoran, Michele Ceriotti
Physics-Inspired Equivariant Descriptors of Nonbonded Interactions. The journal of physical chemistry letters (2023)
Michele Ceriotti, Lasse Jensen, David E Manolopoulos, Todd J Martinez, David R Reichman, Francesco Sciortino, C David Sherrill, Qiang Shi, Carlos Vega, Lai-Sheng Wang, Emily Allyn Weiss, Xiaoyang Zhu, Jennifer L Stein, Tianquan Lian
2021 JCP Emerging Investigator Special Collection. The Journal of chemical physics 158 (6) (2023)
Seoin Back, Alán Aspuru-Guzik, Michele Ceriotti, Ganna Gryn'ova, Bartosz A Grzybowski, Geun Ho Gu, Jason E Hein, Kedar Hippalgaonkar, Rodrigo Hormázabal, Yousung Jung, Seonah Kim, Woo Youn Kim, Seyed Mohamad Moosavi, Juhwan Noh, Changyoung Park, Joshua Schrier, Philippe Schwaller, Koji Tsuda, Tejs Vegge, O Anatole von Lilienfeld, Aron Walsh
Accelerated chemical science with AI. Digital discovery 3 (1) (2023)
Alexander Goscinski, Victor Paul Principe, Guillaume Fraux, Sergei Kliavinek, Benjamin Aaron Helfrecht, Philip Loche, Michele Ceriotti, Rose Kathleen Cersonsky
scikit-matter : A Suite of Generalisable Machine Learning Methods Born out of Chemistry and Materials Science. Open research Europe 3 (2023)
Alexander Goscinski, Victor Paul Principe, Guillaume Fraux, Sergei Kliavinek, Benjamin Aaron Helfrecht, Philip Loche, Michele Ceriotti, Rose Kathleen Cersonsky
scikit-matter : A Suite of Generalisable Machine Learning Methods Born out of Chemistry and Materials Science. Open research Europe 3 (2023)
Rose Kathleen Cersonsky, Maria Pakhnova, Edgar A Engel, Michele Ceriotti
A data-driven interpretation of the stability of organic molecular crystals. Chemical science 14 (5) (2023)
Alexander Goscinski, Victor Paul Principe, Guillaume Fraux, Sergei Kliavinek, Benjamin Aaron Helfrecht, Philip Loche, Michele Ceriotti, Rose Kathleen Cersonsky
scikit-matter : A Suite of Generalisable Machine Learning Methods Born out of Chemistry and Materials Science. Open research Europe 3 (2023)
Sanggyu Chong, Federico Grasselli, Chiheb Ben Mahmoud, Joe D Morrow, Volker L Deringer, Michele Ceriotti
Robustness of Local Predictions in Atomistic Machine Learning Models. Journal of chemical theory and computation (2023)
Rose Kathleen Cersonsky, Maria Pakhnova, Edgar A Engel, Michele Ceriotti
A data-driven interpretation of the stability of organic molecular crystals. Chemical science 14 (5) (2023)
Benjamin Aaron Helfrecht, Giovanni Pireddu, Rocio Semino, Scott M Auerbach, Michele Ceriotti
Ranking the synthesizability of hypothetical zeolites with the sorting hat. Digital discovery 1 (6) (2022)
Michele Ceriotti, Lasse Jensen, David E Manolopoulos, Todd J Martinez, Angelos Michaelides, Jennifer P Ogilvie, David R Reichman, Qiang Shi, John E Straub, Carlos Vega, Lai-Sheng Wang, Emily Allyn Weiss, Xiaoyang Zhu, Jennifer L Stein, Tianquan Lian
2020 JCP Emerging Investigator Special Collection. The Journal of chemical physics 155 (23) (2022)
Andrea Grisafi, Alan M Lewis, Mariana Rossi, Michele Ceriotti
Electronic-Structure Properties from Atom-Centered Predictions of the Electron Density. Journal of chemical theory and computation (2022)
Filippo Bigi, Kevin K Huguenin-Dumittan, Michele Ceriotti, David E Manolopoulos
A smooth basis for atomistic machine learning. The Journal of chemical physics 157 (23) (2022)
Benjamin Aaron Helfrecht, Giovanni Pireddu, Rocio Semino, Scott M Auerbach, Michele Ceriotti
Ranking the synthesizability of hypothetical zeolites with the sorting hat. Digital discovery 1 (6) (2022)
Raimon Fabregat, Alberto Fabrizio, Edgar A Engel, Benjamin Meyer, Veronika Juraskova, Michele Ceriotti, Clémence Corminbœuf
Local Kernel Regression and Neural Network Approaches to the Conformational Landscapes of Oligopeptides. Journal of chemical theory and computation 18 (3) (2022)
Michele Ceriotti, Cecilia Clementi, O Anatole von Lilienfeld
Introduction: Machine Learning at the Atomic Scale. Chemical reviews 121 (16) (2022)
Manuel Cordova, Edgar A Engel, Artur Stefaniuk, Federico Paruzzo, Albert Hofstetter, Michele Ceriotti, Lyndon Emsley
A Machine Learning Model of Chemical Shifts for Chemically and Structurally Diverse Molecular Solids. The journal of physical chemistry. C, Nanomaterials and interfaces 126 (39) (2022)
Alan M Lewis, Andrea Grisafi, Michele Ceriotti, Mariana Rossi
Learning Electron Densities in the Condensed Phase. Journal of chemical theory and computation 17 (11) (2021)
Sergey N Pozdnyakov, Liwei Zhang, Christoph Ortner, Gábor Csányi, Michele Ceriotti
Local invertibility and sensitivity of atomic structure-feature mappings. Open research Europe 1 (2021)
Volker L Deringer, Albert P Bartók, Noam Bernstein, David M Wilkins, Michele Ceriotti, Gábor Csányi
Gaussian Process Regression for Materials and Molecules. Chemical reviews 121 (16) (2021)
Volker L Deringer, Noam Bernstein, Gábor Csányi, Chiheb Ben Mahmoud, Michele Ceriotti, Mark Wilson, David A Drabold, Stephen R Elliott
Origins of structural and electronic transitions in disordered silicon. Nature 589 (7840) (2021)
Edgar A Engel, Venkat Kapil, Michele Ceriotti
Importance of Nuclear Quantum Effects for NMR Crystallography. The journal of physical chemistry letters 12 (32) (2021)
Manuel Cordova, Martins Balodis, Bruno Simões de Almeida, Michele Ceriotti, Lyndon Emsley
Bayesian probabilistic assignment of chemical shifts in organic solids. Science advances 7 (48) (2021)
C David Sherrill, David E Manolopoulos, Todd J Martinez, Michele Ceriotti, Angelos Michaelides
Chemical physics software. The Journal of chemical physics 155 (1) (2021)
F Giberti, Gareth A Tribello, Michele Ceriotti
Global Free-Energy Landscapes as a Smoothly Joined Collection of Local Maps. Journal of chemical theory and computation 17 (6) (2021)
Jinggang Lan, Venkat Kapil, Piero Gasparotto, Michele Ceriotti, Marcella Iannuzzi, Vladimir V Rybkin
Simulating the ghost: quantum dynamics of the solvated electron. Nature communications 12 (1) (2021)
Bingqing Cheng, Guglielmo Mazzola, Chris J Pickard, Michele Ceriotti
Reply to: On the liquid-liquid phase transition of dense hydrogen. Nature 600 (7889) (2021)
Félix Musil, Andrea Grisafi, Albert P Bartók, Christoph Ortner, Gábor Csányi, Michele Ceriotti
Physics-Inspired Structural Representations for Molecules and Materials. Chemical reviews 121 (16) (2021)
Jinggang Lan, Venkat Kapil, Piero Gasparotto, Michele Ceriotti, Marcella Iannuzzi, Vladimir V Rybkin
Author Correction: Simulating the ghost: quantum dynamics of the solvated electron. Nature communications 12 (1) (2021)
Bingqing Cheng, Guglielmo Mazzola, Chris J Pickard, Michele Ceriotti
Evidence for supercritical behaviour of high-pressure liquid hydrogen. Nature 585 (7824) (2020)
Piero Gasparotto, Davide Bochicchio, Michele Ceriotti, Giovanni M Pavan
Identifying and Tracking Defects in Dynamic Supramolecular Polymers. The journal of physical chemistry. B 124 (3) (2020)
Mostapha Dakhchoune, Luis Francisco Villalobos, Rocio Semino, Lingmei Liu, Mojtaba Rezaei, Pascal Schouwink, Claudia Esther Avalos, Paul Baade, Vanessa Wood, Yu Han, Michele Ceriotti, Kumar Varoon Agrawal
Gas-sieving zeolitic membranes fabricated by condensation of precursor nanosheets. Nature materials 20 (3) (2020)
Paraskevi Gkeka, Gabriel Stoltz, Amir Barati Farimani, Zineb Belkacemi, Michele Ceriotti, John D Chodera, Aaron R Dinner, Andrew L Ferguson, Jean-Bernard Maillet, Hervé Minoux, Christine Peter, Fabio Pietrucci, Ana Silveira, Alexandre Tkatchenko, Zofia Trstanova, Rafal Wiewiora, Tony Lelièvre
Machine Learning Force Fields and Coarse-Grained Variables in Molecular Dynamics: Application to Materials and Biological Systems. Journal of chemical theory and computation 16 (8) (2020)
Igor Poltavsky, Venkat Kapil, Michele Ceriotti, Kwang-Sub Kim, Alexandre Tkatchenko
Accurate Description of Nuclear Quantum Effects with High-Order Perturbed Path Integrals (HOPPI). Journal of chemical theory and computation 16 (2) (2020)
Andrea Grisafi, Jigyasa Nigam, Michele Ceriotti
Multi-scale approach for the prediction of atomic scale properties. Chemical science 12 (6) (2020)
Ming Liu, Linda Zhang, Marc A Little, Venkat Kapil, Michele Ceriotti, Siyuan Yang, Lifeng Ding, Daniel L Holden, Rafael Balderas-Xicohtencatl, Donglin He, Rob Clowes, Samantha Yu-Ling Chong, Gisela Schütz, Linjiang Chen, Michael Hirscher, Andrew I Cooper
Barely porous organic cages for hydrogen isotope separation. Science (New York, N.Y.) 366 (6465) (2020)
Kevin Rossi, Veronika Jurásková, Raphael Wischert, Laurent Garel, Clémence Corminbœuf, Michele Ceriotti
Simulating Solvation and Acidity in Complex Mixtures with First-Principles Accuracy: The Case of CH3SO3H and H2O2 in Phenol. Journal of chemical theory and computation 16 (8) (2020)
Yang Yang, Ka Un Lao, David M Wilkins, Andrea Grisafi, Michele Ceriotti, Robert A DiStasio
Quantum mechanical static dipole polarizabilities in the QM7b and AlphaML showcase databases. Scientific data 6 (1) (2019)
David M Wilkins, Andrea Grisafi, Yang Yang, Ka Un Lao, Robert A DiStasio, Michele Ceriotti
Accurate molecular polarizabilities with coupled cluster theory and machine learning. Proceedings of the National Academy of Sciences of the United States of America 116 (9) (2019)
Venkat Kapil, Edgar Engel, Mariana Rossi, Michele Ceriotti
Assessment of Approximate Methods for Anharmonic Free Energies. Journal of chemical theory and computation 15 (11) (2019)
Alberto Fabrizio, Andrea Grisafi, Benjamin Meyer, Michele Ceriotti, Clémence Corminbœuf
Electron density learning of non-covalent systems. Chemical science 10 (41) (2019)
Benjamin Aaron Helfrecht, Rocio Semino, Giovanni Pireddu, Scott M Auerbach, Michele Ceriotti
A new kind of atlas of zeolite building blocks. The Journal of chemical physics 151 (15) (2019)
Bingqing Cheng, Edgar A Engel, Jörg Behler, Christoph Dellago, Michele Ceriotti
Ab initio thermodynamics of liquid and solid water. Proceedings of the National Academy of Sciences of the United States of America 116 (4) (2019)
Venkat Kapil, Jelle Wieme, Steven Vandenbrande, Aran Lamaire, Veronique Van Speybroeck, Michele Ceriotti
Modeling the Structural and Thermal Properties of Loaded Metal-Organic Frameworks. An Interplay of Quantum and Anharmonic Fluctuations. Journal of chemical theory and computation 15 (5) (2019)
Gabriele Tocci, Chungwen Liang, David M Wilkins, Sylvie Roke, Michele Ceriotti
Correction to "Second-Harmonic Scattering as a Probe of Structural Correlations in Liquids". The journal of physical chemistry letters 10 (3) (2019)
Félix Musil, Michael J Willatt, Mikhail A Langovoy, Michele Ceriotti
Fast and Accurate Uncertainty Estimation in Chemical Machine Learning. Journal of chemical theory and computation 15 (2) (2019)
Zhi Luo, Anna Murello, David M Wilkins, Filip Kovacik, Joachim Kohlbrecher, Aurel Radulescu, Halil Ibrahim Okur, Quy K Ong, Sylvie Roke, Michele Ceriotti, Francesco Stellacci
Determination and evaluation of the nonadditivity in wetting of molecularly heterogeneous surfaces. Proceedings of the National Academy of Sciences of the United States of America 116 (51) (2019)
F Giberti, B Cheng, Gareth A Tribello, Michele Ceriotti
Iterative Unbiasing of Quasi-Equilibrium Sampling. Journal of chemical theory and computation 16 (1) (2019)
Andrea Grisafi, Michele Ceriotti
Incorporating long-range physics in atomic-scale machine learning. The Journal of chemical physics 151 (20) (2019)
Riccardo Dettori, Michele Ceriotti, Johannes Hunger, Luciano Colombo, Davide Donadio
Energy Relaxation and Thermal Diffusion in Infrared Pump-Probe Spectroscopy of Hydrogen-Bonded Liquids. The journal of physical chemistry letters 10 (12) (2019)
Laurent Vannay, Benjamin Meyer, Riccardo Petraglia, Giuseppe Sforazzini, Michele Ceriotti, Clémence Corminbœuf
Analyzing Fluxional Molecules Using DORI. Journal of chemical theory and computation 14 (5) (2018)
Thuong T Nguyen, Eszter Székely, Giulio Imbalzano, Jörg Behler, Gábor Csányi, Michele Ceriotti, Andreas W Götz, Francesco Paesani
Comparison of permutationally invariant polynomials, neural networks, and Gaussian approximation potentials in representing water interactions through many-body expansions. The Journal of chemical physics 148 (24) (2018)
Matti Hellström, Michele Ceriotti, Jörg Behler
Nuclear Quantum Effects in Sodium Hydroxide Solutions from Neural Network Molecular Dynamics Simulations. The journal of physical chemistry. B 122 (44) (2018)
Bingqing Cheng, Michele Ceriotti
Communication: Computing the Tolman length for solid-liquid interfaces. The Journal of chemical physics 148 (23) (2018)
Venkat Kapil, Alice Cuzzocrea, Michele Ceriotti
Anisotropy of the Proton Momentum Distribution in Water. The journal of physical chemistry. B 122 (22) (2018)
Mahdi Hijazi, David M Wilkins, Michele Ceriotti
Fast-forward Langevin dynamics with momentum flips. The Journal of chemical physics 148 (18) (2018)
Y Chen, H I Okur, Nathan Dupertuis, J Dedic, David M Wilkins, Michele Ceriotti, Sylvie Roke
Comment on "Water-water correlations in electrolyte solutions probed by hyper-Rayleigh scattering" [J. Chem. Phys. 147, 214505 (2017)]. The Journal of chemical physics 149 (16) (2018)
Mariana Rossi, Venkat Kapil, Michele Ceriotti
Fine tuning classical and quantum molecular dynamics using a generalized Langevin equation. The Journal of chemical physics 148 (10) (2018)
Bingqing Cheng, Gareth A Tribello, Michele Ceriotti
The Gibbs free energy of homogeneous nucleation: From atomistic nuclei to the planar limit. The Journal of chemical physics 147 (10) (2018)
Michael J Willatt, Michele Ceriotti, Stuart C Althorpe
Approximating Matsubara dynamics using the planetary model: Tests on liquid water and ice. The Journal of chemical physics 148 (10) (2018)
Giulio Imbalzano, Andrea Anelli, Daniele Giofré, Sinja Klees, Jörg Behler, Michele Ceriotti
Automatic selection of atomic fingerprints and reference configurations for machine-learning potentials. The Journal of chemical physics 148 (24) (2018)
Federico M Paruzzo, Albert Hofstetter, Félix Musil, Sandip De, Michele Ceriotti, Lyndon Emsley
Chemical shifts in molecular solids by machine learning. Nature communications 9 (1) (2018)
Piero Gasparotto, Robert Horst Meißner, Michele Ceriotti
Recognizing Local and Global Structural Motifs at the Atomic Scale. Journal of chemical theory and computation 14 (2) (2018)
Yair Litman, Davide Donadio, Michele Ceriotti, Mariana Rossi
Decisive role of nuclear quantum effects on surface mediated water dissociation at finite temperature. The Journal of chemical physics 148 (10) (2018)
Federico Comitani, Kevin Rossi, Michele Ceriotti, M Eugenia Sanz, Carla Molteni
Mapping the conformational free energy of aspartic acid in the gas phase and in aqueous solution. The Journal of chemical physics 146 (14) (2018)
Félix Musil, Sandip De, Jack Yang, Joshua E Campbell, Graeme M Day, Michele Ceriotti
Machine learning for the structure-energy-property landscapes of molecular crystals. Chemical science 9 (5) (2017)
Albert P Bartók, Sandip De, Carl Poelking, Noam Bernstein, James R Kermode, Gábor Csányi, Michele Ceriotti
Machine learning unifies the modeling of materials and molecules. Science advances 3 (12) (2017)
Bingqing Cheng, Michele Ceriotti
Bridging the gap between atomistic and macroscopic models of homogeneous nucleation. The Journal of chemical physics 146 (3) (2017)

Michele Ceriotti.css-eqlu8i{font-size:small;padding-left:4px;} (M Ceriotti)

Publication Activity (10 Years)

Top Topics

Top Venues

Michele Ceriotti (M Ceriotti)