Benedict Leimkuhler

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Charles MatthewsUniversity of ChicagoVerified email at cmatthe.ws
Sebastian ReichUniversity of PotsdamVerified email at uni-potsdam.de
Brian LairdDepartment of Chemistry, University of KansasVerified email at ku.edu
Stephen BondResearch Scientist, Sandia National LaboratoriesVerified email at sandia.gov
Jason FrankUtrecht University, Mathematical Institute, Budapestlaan 6, 3584 CD Utrecht, the NetherlandsVerified email at uu.nl
Claus Führerprofessor emeritus Lund UniversityVerified email at maths.lth.se
Alan E. MarkProfessor of Biophysical Chemistry, University of QueenslandVerified email at uq.edu.au
Xiaocheng ShangUniversity of BirminghamVerified email at bham.ac.uk
Gopal GuptaProfessor of Computer Science, The University of Texas at DallasVerified email at utdallas.edu
Linda PetzoldProfessor, University of California Santa BarbaraVerified email at cs.ucsb.edu
Matthias SachsUniversity of Birmingham, School of MathematicsVerified email at bham.ac.uk
Gabriel StoltzCERMICS, Ecole des PontsVerified email at cermics.enpc.fr
Ron ElberU of Texas at Austin, The Inst for Comput Eng and Sci, and MiTOMED PHARMA, Inc.Verified email at ices.utexas.edu
Weizhang HuangProfessor of Mathematics, University of KansasVerified email at ku.edu
J. Chris EilbeckEmeritus Professor, Department of Mathematics, Heriot-Watt UniversityVerified email at hw.ac.uk
Chris ChipotUniversity of Lorraine — University of Illinois, Urbana-ChampaignVerified email at Univ-Lorraine.fr
Robert McLachlanProfessor of Applied Mathematics, Massey UniversityVerified email at massey.ac.nz
Tiffany VlaarUniversity of GlasgowVerified email at mila.quebec
Amos StorkeyProfessor of Machine Learning and AI, School of Informatics, University of Edinburgh, UKVerified email at ed.ac.uk
Tamar SchlickProfessor of Chemistry, Mathematics and Computer Science, New York UniversityVerified email at nyu.edu

Benedict Leimkuhler

University of Edinburgh

Verified email at ed.ac.uk - Homepage

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


Title Sort by citations Sort by year Sort by title	Cited by Cited by	Year
Simulating hamiltonian dynamics B Leimkuhler, S Reich Cambridge university press, 2004	1749	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	693	1985
Molecular Dynamics B Leimkuhler, C Matthews Springer, 2015	531*	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	520	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	334	1997
Rational construction of stochastic numerical methods for molecular sampling B Leimkuhler, C Matthews Applied Mathematics Research eXpress 2013 (1), 34-56, 2013	324	2013
Symplectic numerical integrators in constrained Hamiltonian systems BJ Leimkuhler, RD Skeel Journal of Computational Physics 112 (1), 117-125, 1994	323	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	223	1996
Robust and efficient configurational molecular sampling via Langevin dynamics B Leimkuhler, C Matthews The Journal of chemical physics 138 (17), 2013	215	2013
Algorithms for constrained molecular dynamics E Barth, K Kuczera, B Leimkuhler, RD Skeel Journal of computational chemistry 16 (10), 1192-1209, 1995	203	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	171	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	168	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	134	1997
Symplectic integration of constrained Hamiltonian systems B Leimkuhler, S Reich Mathematics of Computation 63 (208), 589-605, 1994	120	1994
Adaptive stochastic methods for sampling driven molecular systems A Jones, B Leimkuhler The Journal of chemical physics 135 (8), 2011	107	2011
Comparing the efficiencies of stochastic isothermal molecular dynamics methods B Leimkuhler, E Noorizadeh, O Penrose Journal of Statistical Physics 143, 921-942, 2011	106	2011

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