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Tony Lelièvre

École nationale des ponts et chaussées

37H-index
265Paper Count
5.5KCitation Count
Published Papers 34
Publication Date
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Autoencoders for dimensionality reduction in molecular dynamics: Collective variable dimension, biasing, and transition states
err2023-07-11
err5
errOAAI
errBelkacemi, Zineb; Bianciotto, Marc; Minoux, Herve; Lelievre, Tony; Stoltz, Gabriel; Gkeka, Paraskevi
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Computing Surface Reaction Rates by Adaptive Multilevel Splitting Combined with Machine Learning and Ab Initio Molecular Dynamics
err2023-06-05
err5
errOAAI
errPigeon, Thomas; Stoltz, Gabriel; Corral-Valero, Manuel; Anciaux-Sedrakian, Ani; Moreaud, Maxime; Lelievre, Tony; Raybaud, Pascal
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Chasing Collective Variables Using Autoencoders and Biased Trajectories
err2021-12-29
err53
errOAAI
errBelkacemi, Zineb; Gkeka, Paraskevi; Lelievre, Tony; Stoltz, Gabriel
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Machine Learning Force Fields and Coarse-Grained Variables in Molecular Dynamics: Application to Materials and Biological Systems
err2020-06-19
err131
errOAAI
errGkeka, Paraskevi; Stoltz, Gabriel; Farimani, Amir Barati; Belkacemi, Zineb; Ceriotti, Michele; Chodera, John D.; Dinner, Aaron R.; Ferguson, Andrew L.; Maillet, Jean-Bernard; Minoux, Herve; Peter, Christine; Pietrucci, Fabio; Silveira, Ana; Tkatchenko, Alexandre; Trstanova, Zofia; Wiewiora, Rafal; Lelievre, Tony
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The Extended Generalized Adaptive Biasing Force Algorithm for Multidimensional Free-Energy Calculations
err2017-03-15
err34
PREAI
errZhao, Tanfeng; Fu, Haohao; Lehievre, Tony; Shao, Xueguang; Chipot, Christophe; Cai, Wensheng
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Coupling a reactive potential with a harmonic approximation for atomistic simulations of material failure
err2016-06-01
err1
errOAAI
errTejada, Ignacio G.; Brochard, Laurent; Lelievre, Tony; Stoltz, Gabriel; Legoll, Frederic; Cances, Eric
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Jump Markov models and transition state theory: the quasi-stationary distribution approach
err2016-01-01
err35
errOAAI
errDi Gesu, Giacomo; Lelievre, Tony; Le Peutrec, Dorian; Nectoux, Boris
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New methods: general discussion
err2016-01-01
err2
PREAI
errAngulo, Gonzalo; Astumian, Raymond Dean; Beniwal, Vijay; Bolhuis, Peter G.; Dellago, Christoph; Ellis, John; Ensing, Bernd; Glowacki, David R.; Hammes-Schiffer, Sharon; Kaestner, Johannes K.; Lelievre, Tony; Makri, Nancy; Manolopoulos, David; Menzl, Georg; Miller, Thomas F.; Mulholland, Adrian; Oprzeska-Zingrebe, Ewa Anna; Parrinello, Michele; Pollak, Eli; Proppe, Jonny; Reiher, Markus; Richardson, Jeremy; Chowdhury, Priyadarshi Roy; Sanz, Eduardo; Schuette, Christof; Shalashilin, Dmitry; Szabla, Rafal; Taraphder, Srabani; Tiwari, Ambuj; Vanden-Eijnden, Eric; Vijaykumar, Adithya; Zinovjev, Kirill
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Application to large systems: general discussion
err2016-01-01
err1
PREAI
errAlthorpe, Stuart; Angulo, Gonzalo; Astumian, Raymond Dean; Beniwal, Vijay; Bolhuis, Peter G.; Brandao, Joao; Ellis, John; Fang, Wei; Glowacki, David R.; Hammes-Schiffer, Sharon; Hele, Timothy J. H.; Jonsson, Hannes; Lelievre, Tony; Makri, Nancy; Manolopoulos, David; Mebel, Alexander M.; Menzl, Georg; Miller, Thomas F., III; Parrinello, Michele; Piaggi, Pablo M.; Pollak, Eli; Chowdhury, Priyadarshi Roy; Sanz, Eduardo; Shalashilin, Dmitry; Skulason, Egill; Spezia, Riccardo; Taraphder, Srabani
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A generalized parallel replica dynamics
err2015-03-01
err24
errOAAI
errBinder, Andrew; Lelievre, Tony; Simpson, Gideon
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Free energy calculations from adaptive molecular dynamics simulations with adiabatic reweighting
err2014-03-27
err2
errOAAI
errCao, Lingling; Stoltz, Gabriel; Lelievre, Tony; Marinica, Mihai-Cosmin; Athenes, Manuel
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