Michele Ceriotti

Orcid: 0000-0003-2571-2832

According to our database1, Michele Ceriotti authored at least 23 papers between 2010 and 2023.

Collaborative distances:
  • Dijkstra number2 of five.
  • Erdős number3 of four.

Timeline

Legend:

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PhD thesis 
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Links

On csauthors.net:

Bibliography

2023
Electronic excited states from physically-constrained machine learning.
CoRR, 2023

Physics-inspired Equivariant Descriptors of Non-bonded Interactions.
CoRR, 2023

Wigner kernels: body-ordered equivariant machine learning without a basis.
CoRR, 2023

Completeness of Atomic Structure Representations.
CoRR, 2023

Fast evaluation of real spherical harmonics and their derivatives in Cartesian coordinates.
CoRR, 2023

Smooth, exact rotational symmetrization for deep learning on point clouds.
Proceedings of the Advances in Neural Information Processing Systems 36: Annual Conference on Neural Information Processing Systems 2023, 2023

2022
Incompleteness of graph neural networks for points clouds in three dimensions.
Mach. Learn. Sci. Technol., December, 2022

A smooth basis for atomistic machine learning.
CoRR, 2022

Predicting hot electrons free energies from ground-state data.
CoRR, 2022

Unified theory of atom-centered representations and graph convolutional machine-learning schemes.
CoRR, 2022

Incompleteness of graph convolutional neural networks for points clouds in three dimensions.
CoRR, 2022

2021
Improving sample and feature selection with principal covariates regression.
Mach. Learn. Sci. Technol., September, 2021

The role of feature space in atomistic learning.
Mach. Learn. Sci. Technol., 2021

Optimal radial basis for density-based atomic representations.
CoRR, 2021

2020
Structure-property maps with Kernel principal covariates regression.
Mach. Learn. Sci. Technol., 2020

Chemiscope: interactive structure-property explorer for materials and molecules.
J. Open Source Softw., 2020

Improving Sample and Feature Selection with Principal Covariates Regression.
CoRR, 2020

Uncertainty estimation by committee models for molecular dynamics and thermodynamic averages.
CoRR, 2020

2019
i-PI 2.0: A universal force engine for advanced molecular simulations.
Comput. Phys. Commun., 2019

2017
Mapping and classifying molecules from a high-throughput structural database.
J. Cheminformatics, 2017

2016
Beyond static structures: Putting forth REMD as a tool to solve problems in computational organic chemistry.
J. Comput. Chem., 2016

2014
i-PI: A Python interface for ab initio path integral molecular dynamics simulations.
Comput. Phys. Commun., 2014

2010
The delta-thermostat: selective normal-modes excitation by colored-noise Langevin dynamics.
Proceedings of the International Conference on Computational Science, 2010


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