Paul Lode Albert Popelier

56PUBLICATIONS
46CO-AUTHORS
Reaction engineering (excl. nuclear reactions)ElectrometallurgyComputational methods in fluid flow, heat and mass transfer (incl. computational fluid dynamics)Computational chemistryStatistical mechanics, physical combinatorics and mathematical aspects of condensed matter
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Publications (56)

|Sep 08, 2026
DL_FFLUX Refactored: Accelerating Quantum Chemical Topology Simulations With Optimized Parallelization.

|Aug 31, 2026
Deciphering Chemical Environments in Conformational Data Sets Using an IQA Band-Matching Protocol.

|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

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Frequent Collaborators

5 joint publications

Matthew L Brown

4 joint publications

Ibon Alkorta

4 joint publications

Jonathan M Skelton

4 joint publications

Fabio Falcioni