Benedict Leimkuhler

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Charles MatthewsUniversity of Chicago確認したメールアドレス: cmatthe.ws
Sebastian ReichUniversity of Potsdam確認したメールアドレス: uni-potsdam.de
Brian LairdDepartment of Chemistry, University of Kansas確認したメールアドレス: ku.edu
Stephen BondResearch Scientist, Sandia National Laboratories確認したメールアドレス: sandia.gov
Jason FrankUtrecht University, Mathematical Institute, Budapestlaan 6, 3584 CD Utrecht, the Netherlands確認したメールアドレス: uu.nl
Claus Führerprofessor emeritus Lund University確認したメールアドレス: maths.lth.se
Alan E. MarkProfessor of Biophysical Chemistry, University of Queensland確認したメールアドレス: uq.edu.au
Xiaocheng ShangUniversity of Birmingham確認したメールアドレス: bham.ac.uk
Gopal GuptaProfessor of Computer Science, The University of Texas at Dallas確認したメールアドレス: utdallas.edu
Linda PetzoldProfessor, University of California Santa Barbara確認したメールアドレス: cs.ucsb.edu
Matthias SachsUniversity of Birmingham, School of Mathematics確認したメールアドレス: bham.ac.uk
Gabriel StoltzCERMICS, Ecole des Ponts確認したメールアドレス: cermics.enpc.fr
Ron ElberU of Texas at Austin, The Inst for Comput Eng and Sci, and MiTOMED PHARMA, Inc.確認したメールアドレス: ices.utexas.edu
Weizhang HuangProfessor of Mathematics, University of Kansas確認したメールアドレス: ku.edu
Chris ChipotUniversity of Lorraine — University of Illinois, Urbana-Champaign確認したメールアドレス: Univ-Lorraine.fr
J. Chris EilbeckEmeritus Professor, Department of Mathematics, Heriot-Watt University確認したメールアドレス: hw.ac.uk
Robert McLachlanProfessor of Applied Mathematics, Massey University確認したメールアドレス: massey.ac.nz
Tiffany VlaarUniversity of Glasgow確認したメールアドレス: mila.quebec
Amos StorkeyProfessor of Machine Learning and AI, School of Informatics, University of Edinburgh, UK確認したメールアドレス: ed.ac.uk
Tamar SchlickProfessor of Chemistry, Mathematics and Computer Science, New York University確認したメールアドレス: nyu.edu

フォロー

Benedict Leimkuhler

University of Edinburgh

確認したメールアドレス: ed.ac.uk - ホームページ

numerical analysis computational statistics high performance scientific computing molecular modelling and sampling algorithms


タイトル引用回数順公開年順タイトル順	引用先引用先	年
Simulating hamiltonian dynamics B Leimkuhler, S Reich Cambridge university press, 2004	1734	2004
Automatic integration of Euler-Lagrange equations with constraints CW Gear, B Leimkuhler, GK Gupta Journal of Computational and Applied Mathematics 12, 77-90, 1985	689	1985
Molecular Dynamics B Leimkuhler, C Matthews Springer, 2015	519*	2015
The Nosé–Poincaré method for constant temperature molecular dynamics SD Bond, BJ Leimkuhler, BB Laird Journal of Computational Physics 151 (1), 114-134, 1999	514	1999
Symplectic splitting methods for rigid body molecular dynamics A Dullweber, B Leimkuhler, R McLachlan The Journal of chemical physics 107 (15), 5840-5851, 1997	332	1997
Rational construction of stochastic numerical methods for molecular sampling B Leimkuhler, C Matthews Applied Mathematics Research eXpress 2013 (1), 34-56, 2013	321	2013
Symplectic numerical integrators in constrained Hamiltonian systems BJ Leimkuhler, RD Skeel Journal of Computational Physics 112 (1), 117-125, 1994	321	1994
Numerical solution of differential-algebraic equations for constrained mechanical motion C Führer, BJ Leimkuhler Numerische Mathematik 59, 55-69, 1991	262*	1991
Integration methods for molecular dynamics BJ Leimkuhler, S Reich, RD Skeel Mathematical Approaches to biomolecular structure and dynamics, 161-185, 1996	220	1996
Robust and efficient configurational molecular sampling via Langevin dynamics B Leimkuhler, C Matthews The Journal of chemical physics 138 (17), 2013	212	2013
Algorithms for constrained molecular dynamics E Barth, K Kuczera, B Leimkuhler, RD Skeel Journal of computational chemistry 16 (10), 1192-1209, 1995	201	1995
The computation of averages from equilibrium and nonequilibrium Langevin molecular dynamics B Leimkuhler, C Matthews, G Stoltz IMA Journal of Numerical Analysis 36 (1), 13-79, 2016	195	2016
A gentle stochastic thermostat for molecular dynamics B Leimkuhler, E Noorizadeh, F Theil Journal of Statistical Physics 135, 261-277, 2009	169	2009
A stochastic algorithm for the isobaric–isothermal ensemble with Ewald summations for all long range forces M Di Pierro, R Elber, B Leimkuhler Journal of chemical theory and computation 11 (12), 5624-5637, 2015	161	2015
Approximation methods for the consistent initialization of differential-algebraic equations B Leimkuhler, LR Petzold, CW Gear SIAM Journal on Numerical Analysis 28 (1), 205-226, 1991	160	1991
Computational Molecular Dynamics: Challenges, Methods, Ideas: Proceeding of the 2nd International Symposium on Algorithms for Macromolecular Modelling, Berlin, May 21–24, 1997 Springer Science & Business Media, 1999	145*	1999
The adaptive Verlet method W Huang, B Leimkuhler SIAM Journal on Scientific Computing 18 (1), 239-256, 1997	133	1997
Symplectic integration of constrained Hamiltonian systems B Leimkuhler, S Reich Mathematics of Computation 63 (208), 589-605, 1994	120	1994
Comparing the efficiencies of stochastic isothermal molecular dynamics methods B Leimkuhler, E Noorizadeh, O Penrose Journal of Statistical Physics 143, 921-942, 2011	105	2011
Adaptive stochastic methods for sampling driven molecular systems A Jones, B Leimkuhler The Journal of chemical physics 135 (8), 2011	103	2011

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