What have we learned from the development of HORTON?
ISBN/ISSN:
Talk
Conference / event / venue
Visit Maison de la Simulation
Saclay, France
Monday, 13 June, 2016
T. Verstraelen
Minimal Basis Iterative Stockholder (MBIS): atoms-in-molecules for force field development
ISBN/ISSN:
Talk
Conference / event / venue
Visit Laboratoire de Chimie Théoretique, UPMC
Paris, France
Wednesday, 8 June, 2016
A New Framework for Ab Initio Polarizable Force Fields
ISBN/ISSN:
Talk
Conference / event / venue
Visit Phenix Lab, UPMC
Paris, France
Monday, 30 May, 2016
Physically motivated force fields for noncovalent interactions
ISBN/ISSN:
Talk
Conference / event / venue
Visit Software for Chemistry and Materials
Amsterdam, The Netherlands
Thursday, 19 May, 2016
Evaluating a linear machine learning force field for aluminium
ISBN/ISSN:
Talk
Conference / event / venue
L'intelligence artificielle pour la chimie des matériaux
Paris, France
Tuesday, 25 September, 2018
A full computational characterization of the impact of defects on the mechanical stability and gas separation ability of MOFs
ISBN/ISSN:
Talk
Conference / event / venue
docMOF Symposium
Raitenhaslach, Germany
Monday, 30 April, 2018 to Wednesday, 2 May, 2018
Towards modeling long-range disorder in MOFs: Development of a computational toolbox to extend the length scale in molecular simulations
ISBN/ISSN:
Invited talk
Conference / event / venue
CECAM workshop: Multi-scale modelling of flexible and disordered porous materials
Paris, France
Monday, 11 June, 2018 to Wednesday, 13 June, 2018
Chemical bonds in crystals: a machine learning view
Machine learning for material discovery and material design
Rheological Modelling of Lubricants by Molecular Dynamics
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