Publications by authors named "Felix Musil"

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Navigating protein landscapes with a machine-learned transferable coarse-grained model.
Nicholas E Charron, Klara Bonneau, Aldo S Pasos-Trejo, Andrea Guljas, Yaoyi Chen, Félix Musil

Nat Chem· August 2025

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Accurate nuclear quantum statistics on machine-learned classical effective potentials.
Iryna Zaporozhets, Félix Musil, Venkat Kapil, Cecilia Clementi

J Chem Phys· October 2024

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Machine learned coarse-grained protein force-fields: Are we there yet?
Aleksander E P Durumeric, Nicholas E Charron, Clark Templeton, Félix Musil, Klara Bonneau

Curr Opin Struct Biol· April 2023

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Quantum dynamics using path integral coarse-graining.
Félix Musil, Iryna Zaporozhets, Frank Noé, Cecilia Clementi, Venkat Kapil

J Chem Phys· November 2022

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Optimal radial basis for density-based atomic representations.
Alexander Goscinski, Félix Musil, Sergey Pozdnyakov, Jigyasa Nigam, Michele Ceriotti

J Chem Phys· September 2021

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Physics-Inspired Structural Representations for Molecules and Materials.
Felix Musil, Andrea Grisafi, Albert P Bartók, Christoph Ortner, Gábor Csányi

Chem Rev· August 2021

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Efficient implementation of atom-density representations.
Félix Musil, Max Veit, Alexander Goscinski, Guillaume Fraux, Michael J Willatt

J Chem Phys· March 2021

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Machine Learning at the Atomic Scale.
Félix Musil, Michele Ceriotti

Chimia (Aarau)· December 2019

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Atom-density representations for machine learning.
Michael J Willatt, Félix Musil, Michele Ceriotti

J Chem Phys· April 2019

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Fast and Accurate Uncertainty Estimation in Chemical Machine Learning.
Félix Musil, Michael J Willatt, Mikhail A Langovoy, Michele Ceriotti

J Chem Theory Comput· February 2019

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Feature optimization for atomistic machine learning yields a data-driven construction of the periodic table of the elements.
Michael J Willatt, Félix Musil, Michele Ceriotti

Phys Chem Chem Phys· December 2018

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Chemical shifts in molecular solids by machine learning.
Federico M Paruzzo, Albert Hofstetter, Félix Musil, Sandip De, Michele Ceriotti

Nat Commun· October 2018

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Machine learning for the structure-energy-property landscapes of molecular crystals.
Félix Musil, Sandip De, Jack Yang, Joshua E Campbell, Graeme M Day

Chem Sci· February 2018

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Mapping and classifying molecules from a high-throughput structural database.
Sandip De, Felix Musil, Teresa Ingram, Carsten Baldauf, Michele Ceriotti

J Cheminform· February 2017

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