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Publications
Author(s): Olivier Adjoua, Louis Lagardère, Luc-Henri Jolly, Arnaud Durocher, Thibaut Very, Isabelle Dupays, Zhi Wang, Théo Jaffrelot Inizan, Frédéric Célerse, Pengyu Ren, Jay W. Ponder, Jean-Philip Piquemal
Published in: Journal of Chemical Theory and Computation, 17/4, 2021, Page(s) 2034-2053, ISSN 1549-9618
Publisher: American Chemical Society
DOI: 10.1021/acs.jctc.0c01164
Author(s): E. Cancès, G. Dusson, Y. Maday, B. Stamm, M. Vohralík.
Published in: IMA Journal of Numerical Analysis, 2020, ISSN 0000-0000
Publisher: IMA Journal of Numerical Analysis
DOI: 10.1093/imanum/draa044
Author(s): L.-H. Jolly, A. Duran, L. Lagardère, J. W. Ponder, P. Ren, J.-P. Piquemal.
Published in: Living Journal of Computational Molecular Science, University of Colorado Boulder, 2019, ISSN 0000-0000
Publisher: Living Journal of Computational Molecular Science, University of Colorado Boulder
DOI: 10.33011/livecoms.1.2.10409
Author(s): Eric Cancès, Gaspard Kemlin, Antoine Levitt
Published in: SIAM Journal on Matrix Analysis and Applications, Volume 42, Issue 1, 2020, Page(s) 243–274. (32 pages), ISSN 0895-4798
Publisher: Society for Industrial and Applied Mathematics
DOI: 10.1137/20m1332864
Author(s): Poier Pier Paolo, L. Lagardère, J.-P. Piquemal, F. Jensen.
Published in: Journal of Chemical Theory and Computation, American Chemical Society, 2019, ISSN 0000-0000
Publisher: Journal of Chemical Theory and Computation, American Chemical Society
DOI: 10.1021/acs.jctc.9b00721
Author(s): J. Melcr, J.-P. Piquemal
Published in: Frontiers in Molecular Biosciences, Frontiers Media, 2019, 6, pp.143., 2019, ISSN 0000-0000
Publisher: Frontiers in Molecular Biosciences
DOI: 10.3389/fmolb.2019.00143
Author(s): R. Boto, F. Peccati, R. Laplaza, C. Quan, A. Carbone, J.-P. Piquemal, Y. Maday, J. Contreras-Garcia.
Published in: Journal of Chemical Theory and Computation, American Chemical Society, J. Chem. Theory Comput. 2020, 16, 7, 4150–4158, 2020, ISSN 0000-0000
Publisher: Journal of Chemical Theory and Computation, American Chemical Society
DOI: 10.1021/acs.jctc.0c00063
Author(s): Dongarra, Laura Grigori, Nicholas J. Higham
Published in: Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences, Volume 378 Issue 2166 pp.20190066. ⟨10.1098/rsta.2019.0), 2020, ISSN 0000-0000
Publisher: The Royal Society Publishing
DOI: 10.1098/rsta.2019.0066
Author(s): E. Cancès, G. Dusson, Y. Maday, B. Stamm, M. Vohralík
Published in: Mathematics of Computation, 2020, ISSN 0025-5718
Publisher: American Mathematical Society
DOI: 10.1090/mcom/3549
Author(s): M. F. Herbst, A. Levitt, E. Cancès.
Published in: Faraday Discussions, 2020, ISSN 0000-0000
Publisher: Faraday Discussions
DOI: 10.1039/d0fd00048e
Author(s): Eric Cancès, Virginie Ehrlacher, David Gontier, Antoine Levitt, Damiano Lombardi
Published in: Springer Link, Numerische Mathematik volume 144, pages479–526(2020), 2020, ISSN 0000-0000
Publisher: Springer Link
DOI: 10.1007/s00211-019-01096-w
Author(s): Tony Lelièvre, Gabriel Stoltz, Wei Zhang.
Published in: Chemical Communications. Issue 49, 2020, ISSN 0000-0000
Publisher: Chemical Communications
DOI: 10.1039/d0cc01938k
Author(s): C. Liu, J.-P. Piquemal, P. Ren.
Published in: Journal of Physical Chemistry Letters, American Chemical Society, 2019, ISSN 0000-0000
Publisher: ACS Publications
DOI: 10.1021/acs.jpclett.9b03489
Author(s): G. Pavliotis, G. Stoltz, U. Vaes.
Published in: Springer Link, 2020, ISSN 0000-0000
Publisher: Springer Link
DOI: 10.1007/s00332-020-09671-4
Author(s): Rae A. Corrigan, Guowei Qi, Andrew C. Thiel, Jack R. Lynn, Brandon D. Walker, Thomas L. Casavant, Louis Lagardere, Jean-Philip Piquemal, Jay W. Ponder, Pengyu Ren, Michael J. Schnieders
Published in: Journal of Chemical Theory and Computation, 17/4, 2021, Page(s) 2323-2341, ISSN 1549-9618
Publisher: American Chemical Society
DOI: 10.1021/acs.jctc.0c01286
Author(s): Virginie Ehrlacher, Laura Grigori, Damiano Lombardi, Hao Song
Published in: SIAM Journal on Scientific Computing, 43/1, 2021, Page(s) A139-A163, ISSN 1064-8275
Publisher: Society for Industrial and Applied Mathematics
DOI: 10.1137/19m128689x
Author(s): Sehr Naseem-Khan, Nohad Gresh, Alston J. Misquitta, Jean-Philip Piquemal
Published in: Journal of Chemical Theory and Computation, 2020, ISSN 1549-9618
Publisher: American Chemical Society
DOI: 10.1021/acs.jctc.0c01337
Author(s): P. Monmarché, J. Weisman, L. Lagardère, J.-P. Piquemal.
Published in: AIP The Journal of Chemical Physics, 2020, ISSN 0000-0000
Publisher: AIP The Journal of Chemical Physics
DOI: 10.1063/5.0005060
Author(s): D. El Ahdab, L. Lagardère, T. Jaffrelot Inizan, F. Célerse, C. Liu, O. Adjoua, L.H. Jolly, N. Gresh, Z. Hobaika, P. Ren, R. G. Maroun,J.-P. Piquemal
Published in: The Journal of Physical Chemistry Letters, 2021, Page(s) 12, 26, 6218–6226, ISSN 1948-7185
Publisher: American Chemical Society
DOI: 10.1021/acs.jpclett.1c01460
Author(s): Michel Benaïm, Charles-Edouard Bréhier, Pierre Monmarché
Published in: Electronic Journal of Probability, Vol.25 • 2020, 2020, ISSN 0000-0000
Publisher: Electronic Journal of Probability
DOI: 10.1214/20-ejp490
Author(s): P. El Darazi, L. El Khoury, K. El Hage, R. Maroun, Z. Hobaika, J.-P. Piquemal, N. Gresh.
Published in: Theoretical and Computational Chemistry, 2019, ISSN 0000-0000
Publisher: Theoretical and Computational Chemistry
DOI: 10.3389/fchem.2020.00440
Author(s): M. F. Herbst, T. Fransson.
Published in: The Journal of Chemical Physics, Volume 153, Issue 5 > 10.1063/5.0013538, 2020, ISSN 0000-0000
Publisher: The Journal of Chemical Physics
DOI: 10.1063/5.0013538
Author(s): L. El Khoury, F. Célerse, Louis Lagardère, L.-.H Jolly, E. Derat, Z. Hobaika, R. Maroun, P. Ren, S. Bouaziz, N. Gresh, J.-P. Piquemal.
Published in: Journal of Chemical Theory and Computation, 2020, ISSN 0000-0000
Publisher: Journal of Chemical Theory and Computation
DOI: 10.1021/acs.jctc.9b01204
Author(s): Alain Durmus, Arnaud Guillin, Pierre Monmarché
Published in: The Annals of Applied Probability, 30/5, 2020, ISSN 1050-5164
Publisher: Institute of Mathematical Statistics
DOI: 10.1214/19-aap1552
Author(s): Robert Benda, Gaël Zucchi, Eric Cancès, Bérengère Lebental
Published in: AIP The Journal of Chemical Physics, Volume 152, Issue 6 > 10.1063/1.5133634, 2020, ISSN 0000-0000
Publisher: AIP The Journal of Chemical Physics
DOI: 10.1063/1.5133634
Author(s): L. El-Khoury, K. El Hage, J.-P. Piquemal, S. Fermandjian, R. Maroun, N. Gresh, Z. Hobaika.
Published in: PeerJ Physical Chemistry, PeerJ, 2019, 1, pp.e6., 2019, ISSN 0000-0000
Publisher: PeerJ Physical Chemistry
DOI: 10.7717/peerj-pchem.6
Author(s): R. Laplaza, F. Peccati, R. Boto, C. Quan, A. Carbone, J.-P. Piquemal, Y. Maday, J. Contreras-Garcia.
Published in: WIREs Computational Molecular Science, Volume11, Issue2 March/April 2021 e1497, 2020, ISSN 0000-0000
Publisher: WIREs Computational Molecular Science
DOI: 10.1002/wcms.1497
Author(s): Théo Jaffrelot Inizan, Frédéric Célerse, Olivier Adjoua, Dina El Ahdab, Luc-Henri Jolly, Chengwen Liu, Pengyu Ren, Matthieu Montes, Nathalie Lagarde, Louis Lagardère, Pierre Monmarché, Jean-Philip Piquemal
Published in: Chemical Science, 12/13, 2021, Page(s) 4889-4907, ISSN 2041-6520
Publisher: Royal Society of Chemistry
DOI: 10.1039/d1sc00145k
Author(s): Ting Wang, Gabriel Stoltz, Petr Plechac
Published in: ESAIM: Mathematical Modelling and Numerical Analysis (ESAIM: M2AN), Volume 55, 2021, 2021, Page(s) S593 - S623, ISSN 0000-0000
Publisher: edp sciences
DOI: 10.1051/m2an/2020050
Author(s): J. Klein, H. Khartabil, J.C. Boisson, J. Contreras-Garcia, J.-P. Piquemal, E. Henon.
Published in: Journal of Physical Chemistry A, American Chemical Society, 124 (9), pp.1850-1860, 2020, ISSN 0000-0000
Publisher: Journal of Physical Chemistry A, American Chemical Society
DOI: 10.1021/acs.jpca.9b09845