Anne Hemeryck

According to our database, Anne Hemeryck authored at least 5 papers between 2012 and 2026.

Collaborative distances:

• Dijkstra number of six.
• Erdős number of five.

2026

QE-CONVERSE: An open-source package for the quantum ESPRESSO distribution to compute non-perturbatively orbital magnetization from first principles, including NMR chemical shifts and EPR parameters.

Simone Fioccola, Luigi Giacomazzi, Davide Ceresoli, N. Richard, Anne Hemeryck, Layla Martin-Samos

Comput. Phys. Commun., 2026

2024

pARTn: A plugin implementation of the Activation Relaxation Technique nouveau that takes over the FIRE minimisation algorithm.

M. Poberznik, Miha Gunde, Nicolas Salles, A. Jay, Anne Hemeryck, N. Richard, N. Mousseau, Layla Martin-Samos

Comput. Phys. Commun., 2024

2022

Iterative Rotations and Assignments (IRA): A shape matching algorithm for atomic structures.

Miha Gunde, Nicolas Salles, Anne Hémeryck, Layla Martin-Samos

Softw. Impacts, 2022

2021

IRA: A Shape Matching Approach for Recognition and Comparison of Generic Atomic Patterns.

Miha Gunde, Nicolas Salles, Anne Hémeryck, Layla Martin-Samos

J. Chem. Inf. Model., 2021

2012

A computational chemist approach to gas sensors: Modeling the response of SnO₂ to CO, O₂, and H₂O Gases.

Jean Marie Ducéré, Anne Hemeryck, Alain Estève, Mehdi Djafari Rouhani, Georges Landa, Philippe Ménini, Cyril Tropis, André Maisonnat, Pierre Fau, Bruno Chaudret

J. Comput. Chem., 2012