Computation of elastic constants of solids using molecular simulation: comparison of constant volume and constant pressure ensemble methods G Clavier, N Desbiens, E Bourasseau, V Lachet, N Brusselle-Dupend, ... Molecular Simulation 43 (17), 1413-1422, 2017 | 65 | 2017 |
Computation of the thermal elastic constants for arbitrary manybody potentials in LAMMPS using the stress-fluctuation formalism G Clavier, AP Thompson Computer Physics Communications 286, 108674, 2023 | 8 | 2023 |
Rheological properties of polymer chains at a copper oxide surface: Impact of the chain length, surface coverage, and grafted polymer shape JG Solano Canchaya, G Clavier, S Garruchet, B Latour, N Martzel, ... Physical Review E 104 (2), 024501, 2021 | 3 | 2021 |
Strain induced crystallization of polymers at and above the crystallization temperature by coarse-grained simulations H Nagaraj, G Clavier, B Latour, A Dequidt, J Devémy, S Garruchet, ... The Journal of Chemical Physics 154 (23), 2021 | 3 | 2021 |
Investigation of the 3D crystalline network impact on the elastic properties of Semi-Crystalline Polymers from a multi-scale modelling approach E Roguet, K Akhan, N Brusselle-Dupend, V Le Corre, M Sidhom, ... Computational Materials Science 167, 77-84, 2019 | 3 | 2019 |
Étude à l'échelle moléculaire des propriétés mécaniques des polymères semi-cristallins G Clavier Université Paris Saclay (COmUE), 2017 | 2 | 2017 |
Assessing the derivation of time parameters from branched polymer coarse-grain model G Clavier, R Blaak, A Dequidt, F Goujon, J Devémy, B Latour, S Garruchet, ... The Journal of Chemical Physics 154 (12), 2021 | 1 | 2021 |
A General Method for Calculating Local Stress and Elastic Constants for Arbitrary Many-body Interaction Potentials in LAMMPS. A Thompson, G Clavier Sandia National Lab.(SNL-NM), Albuquerque, NM (United States), 2022 | | 2022 |
Development of coarse-grained models for polymer materials. R Blaak, K Kempfer, JGS Canchaya, H Nagaraj, G Munoz, G Clavier, ... International Soft Matter Conference, 2019 | | 2019 |
Toward a multi-scale approach in modelling macromolecular properties. G Clavier, A Dequidt, B Latour, E Munch, N Seeboth, P Malfreyt Computational Molecular Science, CMS 2019, 2019 | | 2019 |