Paul Lode Albert Popelier

54PUBLICATIONS
45CO-AUTHORS
Computational methods in fluid flow, heat and mass transfer (incl. computational fluid dynamics)Computational chemistryStatistical mechanics, physical combinatorics and mathematical aspects of condensed matterStatistical mechanics in chemistryTheoretical quantum chemistry
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Publications (54)

|Mar 31, 2026
Unprecedented robustness of physics-informed atomic energy models at and beyond room temperature.

Bienfait Kabuyaya Isamura, Olivia Aten, Mohamadhosein Nosratjoo

|Dec 18, 2025
CHQuant: A Protocol for Quantifying Conformational Sampling with Convex Hulls.

Jaiming J K Chung, Bienfait K Isamura, Paul L A Popelier

|Feb 18, 2025
Accurate prediction of electron correlation energies of topological atoms by delta learning from the Müller approximation.

Prasanta Bandyopadhyay, Bienfait K Isamura, Paul L A Popelier

|Oct 11, 2024
Modeling Many-Body Interactions in Water with Gaussian Process Regression.

Yulian T Manchev, Paul L A Popelier

|Sep 20, 2024
Toward Gaussian Process Regression Modeling of a Urea Force Field.

Tomasz Bukowy, Matthew L Brown, Paul L A Popelier

|Sep 03, 2024
Transfer learning of hyperparameters for fast construction of anisotropic GPR models: design and application to the machine-learned force field FFLUX.

Bienfait K Isamura, Paul L A Popelier

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Frequent Collaborators

5 joint publications

Matthew L Brown

4 joint publications

Ibon Alkorta

4 joint publications

Fabio Falcioni

4 joint publications

Jonathan M Skelton