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Noel Jakse

Showing results (1-10 of 11) with videos related to

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Scientific Reports|November 6, 2013
Liquid Aluminum: atomic diffusion and viscosity from ab initio molecular dynamicsNoel Jakse, Alain Pasturel
The Journal of Chemical Physics|July 23, 2004
Ab initio molecular dynamics simulations of local structure of supercooled NiNoel Jakse, Alain Pasturel
Journal of Physics. Condensed Matter : an Institute of Physics Journal|January 23, 2026
A comparative ab initio study of collective dynamics in Al90Si10 and Al90Mg10 liquid alloysTaras Bryk, Noel Jakse
Scientific Reports|June 4, 2021
The intimate relationship between structural relaxation and the energy landscape of monatomic liquid metalsFranz Demmel, Louis Hennet, Noel Jakse
Physical Review. E|November 16, 2021
Excess entropy scaling law: A potential energy landscape viewAnthony Saliou, Philippe Jarry, Noel Jakse
The Journal of Chemical Physics|December 1, 2025
Homogeneous nucleation of undercooled Al-Ni melts via a machine-learned interaction potentialJohannes Sandberg, Thomas Voigtmann, Emilie Devijver, et al.
Journal of the American Chemical Society|February 26, 2024
Informative Training Data for Efficient Property Prediction in Metal-Organic Frameworks by Active LearningAshna Jose, Emilie Devijver, Noel Jakse, et al.
Journal of Physics. Condensed Matter : an Institute of Physics Journal|June 12, 2026
Comparing and assessing the thermophysical and structural predictions of an Empirical and a Machine-learning interatomic potentials on liquid (U,Zr)Matteo Canducci, Benjamin Beeler, Emeric Bourasseau, et al.
Journal of Chemical Theory and Computation|October 16, 2023
Artificial Neural Network-Based Density Functional Approach for Adiabatic Energy Differences in Transition Metal ComplexesJoão Paulo Almeida de Mendonça, Lorenzo Antonio Mariano, Emilie Devijver, et al.
Npj Computational Materials|June 9, 2025
Unveiling hydrogen chemical states in supersaturated amorphous alumina via machine learning-driven atomistic modelingSimon Gramatte, Olivier Politano, Noel Jakse, et al.
Pageof 2

Showing results (1-10 of 11) with videos related to

Sort By:
Pageof 2
Scientific Reports|November 6, 2013
Liquid Aluminum: atomic diffusion and viscosity from ab initio molecular dynamicsNoel Jakse, Alain Pasturel
The Journal of Chemical Physics|July 23, 2004
Ab initio molecular dynamics simulations of local structure of supercooled NiNoel Jakse, Alain Pasturel
Journal of Physics. Condensed Matter : an Institute of Physics Journal|January 23, 2026
A comparative ab initio study of collective dynamics in Al90Si10 and Al90Mg10 liquid alloysTaras Bryk, Noel Jakse
Scientific Reports|June 4, 2021
The intimate relationship between structural relaxation and the energy landscape of monatomic liquid metalsFranz Demmel, Louis Hennet, Noel Jakse
Physical Review. E|November 16, 2021
Excess entropy scaling law: A potential energy landscape viewAnthony Saliou, Philippe Jarry, Noel Jakse
The Journal of Chemical Physics|December 1, 2025
Homogeneous nucleation of undercooled Al-Ni melts via a machine-learned interaction potentialJohannes Sandberg, Thomas Voigtmann, Emilie Devijver, et al.
Journal of the American Chemical Society|February 26, 2024
Informative Training Data for Efficient Property Prediction in Metal-Organic Frameworks by Active LearningAshna Jose, Emilie Devijver, Noel Jakse, et al.
Journal of Physics. Condensed Matter : an Institute of Physics Journal|June 12, 2026
Comparing and assessing the thermophysical and structural predictions of an Empirical and a Machine-learning interatomic potentials on liquid (U,Zr)Matteo Canducci, Benjamin Beeler, Emeric Bourasseau, et al.
Journal of Chemical Theory and Computation|October 16, 2023
Artificial Neural Network-Based Density Functional Approach for Adiabatic Energy Differences in Transition Metal ComplexesJoão Paulo Almeida de Mendonça, Lorenzo Antonio Mariano, Emilie Devijver, et al.
Npj Computational Materials|June 9, 2025
Unveiling hydrogen chemical states in supersaturated amorphous alumina via machine learning-driven atomistic modelingSimon Gramatte, Olivier Politano, Noel Jakse, et al.
Pageof 2