Articles with public access mandates - Nicolas SallesLearn more
Available somewhere: 10
Finding reaction pathways and transition states: r-ARTn and d-ARTn as an efficient and versatile alternative to string approaches
A Jay, C Huet, N Salles, M Gunde, L Martin-Samos, N Richard, G Landa, ...
Journal of Chemical Theory and Computation 16 (10), 6726-6734, 2020
Mandates: Natural Sciences and Engineering Research Council of Canada
Activation–Relaxation Technique: An efficient way to find minima and saddle points of potential energy surfaces
A Jay, M Gunde, N Salles, M Poberžnik, L Martin-Samos, N Richard, ...
Computational Materials Science 209, 111363, 2022
Mandates: Natural Sciences and Engineering Research Council of Canada
Improved Tight-Binding Charge Transfer Model and Calculations of Energetics of a Step on the Rutile TiO2(110) Surface
E Maras, N Salles, R Tétot, T Ala-Nissila, H Jónsson
The Journal of Physical Chemistry C 119 (19), 10391-10399, 2015
Mandates: Academy of Finland, European Commission
Collective dipole effects in ionic transport under electric fields
N Salles, L Martin-Samos, S De Gironcoli, L Giacomazzi, M Valant, ...
Nature communications 11 (1), 1-7, 2020
Mandates: Slovenian Research Agency, Government of Italy
IRA: A shape matching approach for recognition and comparison of generic atomic patterns
M Gunde, N Salles, A Hémeryck, L Martin-Samos
Journal of Chemical Information and Modeling 61 (11), 5446-5457, 2021
Mandates: European Commission
Iterative Rotations and Assignments (IRA): a shape matching algorithm for atomic structures
M Gunde, N Salles, A Hémeryck, L Martin-Samos
Software Impacts 12, 100264, 2022
Mandates: European Commission
pARTn: A plugin implementation of the Activation Relaxation Technique nouveau that takes over the FIRE minimisation algorithm
M Poberznik, M Gunde, N Salles, A Jay, A Hemeryck, N Richard, ...
Computer Physics Communications 295, 108961, 2024
Mandates: Natural Sciences and Engineering Research Council of Canada
Defect creation and Diffusion under electric fields from first-principles: the prototypical case of silicon dioxide
N Salles, L Martin-Samos, S de Gironcoli, L Giacomazzi, M Valant, ...
2019 International Conference on Simulation of Semiconductor Processes and …, 2019
Mandates: Government of Italy
Partn: A Plugin Implementation of the Activation Relaxation Technique Nouveau Hijacking a Minimisation Algorithm
M Poberžnik, M Gunde, N Salles, A Jay, A Hémeryck, N Richard, ...
Available at SSRN 4360939, 2023
Mandates: Natural Sciences and Engineering Research Council of Canada
Kinetic Monte Carlo for Process Simulation: First Principles Calibrated Parameters for BO2
PL Julliard, A Jay, M Gunde, N Salles, F Monsieur, N Guitard, T Cabout, ...
2021 International Conference on Simulation of Semiconductor Processes and …, 2021
Mandates: European Commission
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