Michele Ceriotti
École Polytechnique Fédérale de Lausanne
H-index: 65
Europe-Switzerland
Top articles of Michele Ceriotti
Title | Journal | Author(s) | Publication Date |
|---|---|---|---|
Smooth, exact rotational symmetrization for deep learning on point clouds | Advances in Neural Information Processing Systems | Sergey Pozdnyakov Michele Ceriotti | 2024/2/13 |
Mechanism of charge transport in lithium thiophosphate | Chemistry of Materials | Lorenzo Gigli Davide Tisi Federico Grasselli Michele Ceriotti | 2024/2/5 |
A prediction rigidity formalism for low-cost uncertainties in trained neural networks | arXiv preprint arXiv:2403.02251 | Filippo Bigi Sanggyu Chong Michele Ceriotti Federico Grasselli | 2024/3/4 |
Thermal transport of LiPS solid electrolytes with ab initio accuracy | arXiv preprint arXiv:2401.12936 | Davide Tisi Federico Grasselli Lorenzo Gigli Michele Ceriotti | 2024/1/23 |
Completeness of atomic structure representations | APL Machine Learning | Jigyasa Nigam Sergey N Pozdnyakov Kevin K Huguenin-Dumittan Michele Ceriotti | 2024/3/1 |
Accelerated chemical science with AI | Seoin Back Alán Aspuru-Guzik Michele Ceriotti Ganna Gryn'ova Bartosz Grzybowski | 2024 | |
Electronic Excited States from Physically Constrained Machine Learning | ACS Central Science | Edoardo Cignoni Divya Suman Jigyasa Nigam Lorenzo Cupellini Benedetta Mennucci | 2024/2/29 |
Uncertainty quantification by direct propagation of shallow ensembles | arXiv preprint arXiv:2402.16621 | Matthias Kellner Michele Ceriotti | 2024/2/26 |
Robustness of local predictions in atomistic machine learning models | Journal of Chemical Theory and Computation | Sanggyu Chong Federico Grasselli Chiheb Ben Mahmoud Joe D Morrow Volker L Deringer | 2023/11/10 |
Wigner kernels: body-ordered equivariant machine learning without a basis | arXiv preprint arXiv:2303.04124 | Filippo Bigi Sergey N Pozdnyakov Michele Ceriotti | 2023/3/7 |
Physics-inspired equivariant descriptors of nonbonded interactions | The Journal of Physical Chemistry Letters | Kevin K Huguenin-Dumittan Philip Loche Ni Haoran Michele Ceriotti | 2023/10/20 |
2021 JCP Emerging Investigator Special Collection | The Journal of Chemical Physics | Michele Ceriotti Lasse Jensen David E Manolopoulos Todd Martinez David R Reichman | 2023/2/14 |
Modeling the ferroelectric phase transition in barium titanate with DFT accuracy and converged sampling | arXiv preprint arXiv:2310.12579 | Lorenzo Gigli Alexander Goscinski Michele Ceriotti Gareth A Tribello | 2023/10/19 |
scikit-matter: A suite of generalisable machine learning methods born out of chemistry and materials science | Open Research Europe | Alexander Goscinski Victor Paul Principe Guillaume Fraux Sergei Kliavinek Benjamin Aaron Helfrecht | 2023 |
Surface segregation in high-entropy alloys from alchemical machine learning | Journal of Physics: Materials | Arslan Mazitov Maximilian A Springer Nataliya Lopanitsyna Guillaume Fraux Sandip De | 2023/10/11 |
A data-driven interpretation of the stability of organic molecular crystals | Chemical Science | Rose K Cersonsky Maria Pakhnova Edgar A Engel Michele Ceriotti | 2023 |
Fast evaluation of spherical harmonics with sphericart | The Journal of Chemical Physics | Filippo Bigi Guillaume Fraux Nicholas J Browning Michele Ceriotti | 2023/9 |
Natural aging and vacancy trapping in Al-6xxx | Journal of Materials Research | Abhinav CP Jain M Ceriotti WA Curtin | 2023/12/21 |
Modeling high-entropy transition metal alloys with alchemical compression | Physical Review Materials | Nataliya Lopanitsyna Guillaume Fraux Maximilian A Springer Sandip De Michele Ceriotti | 2023/4/26 |
A machine learning model of chemical shifts for chemically and structurally diverse molecular solids | The Journal of Physical Chemistry C | Manuel Cordova Edgar A Engel Artur Stefaniuk Federico Paruzzo Albert Hofstetter | 2022/9/23 |
Co-Authors
