Layla Martin-Samos

According to our database, Layla Martin-Samos authored at least 7 papers between 2009 and 2024.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of four.

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, A. Hemeryck, N. Richard, N. Mousseau, Layla Martin-Samos

Comput. Phys. Commun., 2024

2023

A* Search Algorithm for an Optimal Investment Problem in Vehicle-Sharing Systems.

Ba Luat Le, Layla Martin-Samos, Emrah Demir, Duc Minh Vu

Proceedings of the Computational Data and Social Networks - 12th International Conference, 2023

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

2015

QMMMW: A wrapper for QM/MM simulations with Quantum ESPRESSO and LAMMPS.

Changru Ma, Layla Martin-Samos, Stefano Fabris, Alessandro Laio, Simone Piccinin

Comput. Phys. Commun., 2015

2013

Enhancement of DFT-calculations at petascale: Nuclear Magnetic Resonance, Hybrid Density Functional Theory and Car-Parrinello calculations.

Nicola Varini, Davide Ceresoli, Layla Martin-Samos, Ivan Girotto, Carlo Cavazzoni

Comput. Phys. Commun., 2013

2009

SaX: An open source package for electronic-structure and optical-properties calculations in the GW approximation.

Layla Martin-Samos, Giovanni Bussi

Comput. Phys. Commun., 2009