Benedict Leimkuhler

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Charles MatthewsUniversity of ChicagoEmail verificata su cmatthe.ws
Sebastian ReichUniversity of PotsdamEmail verificata su uni-potsdam.de
Brian LairdDepartment of Chemistry, University of KansasEmail verificata su ku.edu
Stephen BondResearch Scientist, Sandia National LaboratoriesEmail verificata su sandia.gov
Jason FrankUtrecht University, Mathematical Institute, Budapestlaan 6, 3584 CD Utrecht, the NetherlandsEmail verificata su uu.nl
Claus Führerprofessor emeritus Lund UniversityEmail verificata su maths.lth.se
Alan E. MarkProfessor of Biophysical Chemistry, University of QueenslandEmail verificata su uq.edu.au
Xiaocheng ShangUniversity of BirminghamEmail verificata su bham.ac.uk
Gopal GuptaProfessor of Computer Science, The University of Texas at DallasEmail verificata su utdallas.edu
Linda PetzoldProfessor, University of California Santa BarbaraEmail verificata su cs.ucsb.edu
Matthias SachsUniversity of Birmingham, School of MathematicsEmail verificata su bham.ac.uk
Gabriel StoltzCERMICS, Ecole des PontsEmail verificata su cermics.enpc.fr
Ron ElberU of Texas at Austin, The Inst for Comput Eng and Sci, and MiTOMED PHARMA, Inc.Email verificata su ices.utexas.edu
Weizhang HuangProfessor of Mathematics, University of KansasEmail verificata su ku.edu
J. Chris EilbeckEmeritus Professor, Department of Mathematics, Heriot-Watt UniversityEmail verificata su hw.ac.uk
Chris ChipotUniversity of Lorraine — University of Illinois, Urbana-ChampaignEmail verificata su Univ-Lorraine.fr
Robert McLachlanProfessor of Applied Mathematics, Massey UniversityEmail verificata su massey.ac.nz
Tiffany VlaarUniversity of GlasgowEmail verificata su mila.quebec
Amos StorkeyProfessor of Machine Learning and AI, School of Informatics, University of Edinburgh, UKEmail verificata su ed.ac.uk
Tamar SchlickProfessor of Chemistry, Mathematics and Computer Science, New York UniversityEmail verificata su nyu.edu

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Benedict Leimkuhler

University of Edinburgh

Email verificata su ed.ac.uk - Home page

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


Titolo Ordina per citazioni Ordina per anno Ordina per titolo	Citata da Citata da	Anno
Simulating hamiltonian dynamics B Leimkuhler, S Reich Cambridge university press, 2004	1751	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	535*	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	327	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	216	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	196	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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