Michele Ceriotti

26PUBLICATIONS
50CO-AUTHORS
Integrable systems (classical and quantum)Data structures and algorithmsStatistical mechanics in chemistryAdversarial machine learningCondensed matter modelling and density functional theory
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Publications (26)

|Jan 09, 2022
Equivariant representations for molecular Hamiltonians and N-center atomic-scale properties.

Jigyasa Nigam, Michael J Willatt, Michele Ceriotti

|Sep 16, 2021
Optimal radial basis for density-based atomic representations.

Alexander Goscinski, Félix Musil, Sergey Pozdnyakov

|May 04, 2021
Machine learning meets chemical physics.

Michele Ceriotti, Cecilia Clementi, O Anatole von Lilienfeld

|Mar 23, 2021
Efficient implementation of atom-density representations.

Félix Musil, Max Veit, Alexander Goscinski

|Feb 20, 2021
Uncertainty estimation for molecular dynamics and sampling.

Giulio Imbalzano, Yongbin Zhuang, Venkat Kapil

|Oct 02, 2020
Recursive evaluation and iterative contraction of N-body equivariant features.

Jigyasa Nigam, Sergey Pozdnyakov, Michele Ceriotti

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Frequent Collaborators

4 joint publications

David M Wilkins

4 joint publications

Michael J Willatt

3 joint publications

Jigyasa Nigam

3 joint publications

Venkat Kapil