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Mathematics

D-Index
38
Citations
9200
World Ranking
2287
National Ranking
150

Research.com Recognitions

  • 2014 - Fellow of the Royal Society of Edinburgh

Overview

Benedict Leimkuhler is affiliated with the University of Edinburgh in the United Kingdom. Their research spans multiple fields, focusing primarily on computer science and mathematics. Within these disciplines, their work addresses several subfields including artificial intelligence, statistics and probability, statistical and nonlinear physics, atomic and molecular physics and optics, and molecular biology.

The main topics covered in their research include Markov chains and Monte Carlo methods, Gaussian processes and Bayesian inference, model reduction and neural networks, statistical methods and inference, stochastic processes and financial applications, Bayesian methods and mixture models, and quantum many-body systems.

Leimkuhler has contributed to publications in various scientific venues. Frequent venues where they have published include:

  • arXiv (Cornell University)
  • SIAM Journal on Scientific Computing
  • Physical review. E
  • SIAM Journal on Numerical Analysis
  • The Annals of Applied Probability

Among recent papers authored or coauthored by Leimkuhler are:

  • "Two-dimensional mobile breather scattering in a hexagonal crystal lattice," 2021, Physical review. E
  • "Efficient Numerical Algorithms for the Generalized Langevin Equation," 2022, SIAM Journal on Scientific Computing
  • "Simplest random walk for approximating Robin boundary value problems and ergodic limits of reflected diffusions," 2023, The Annals of Applied Probability
  • "Contraction and Convergence Rates for Discretized Kinetic Langevin Dynamics," 2024, SIAM Journal on Numerical Analysis
  • "Constraint-Based Regularization of Neural Networks," 2020, arXiv (Cornell University)

Collaborations play a significant role in Leimkuhler's research. Frequent coauthors include:

  • Daniel Paulin
  • Peter A. Whalley
  • Matthias Sachs
  • Akash Sharma
  • M. V. Tretyakov

In recognition of their work, Benedict Leimkuhler was named a Fellow of the Royal Society of Edinburgh in 2014.

Best Publications

  • Simulating Hamiltonian Dynamics

    Benedict J Leimkuhler;Sebastian Reich

  • Automatic integration of Euler-Lagrange equations with constraints

    Charles William Gear;B. Leimkuhler;G. K. Gupta

  • The Nosé-Poincaré Method for Constant Temperature Molecular Dynamics

    Stephen D Bond;Benedict J Leimkuhler;Brian B Laird

  • Rational Construction of Stochastic Numerical Methods for Molecular Sampling

    Benedict Leimkuhler;Charles Matthews

  • Symplectic Numerical Integrators in Constrained Hamiltonian Systems

    Benedict J. Leimkuhler;Robert D. Skeel

  • Symplectic splitting methods for rigid body molecular dynamics

    Andreas Dullweber;Benedict Leimkuhler;Robert McLachlan

  • Computational Molecular Dynamics: Challenges, Methods, Ideas

    Peter Deuflhard;Jan Hermans;Benedict Leimkuhler;Alan E. Mark

  • Numerical solution of differential-algebraic equations for constrained mechanical motion

    C. Führer;B. J. Leimkuhler

  • A gentle stochastic thermostat for molecular dynamics

    Benedict Leimkuhler;Emad Noorizadeh;Florian Theil

  • Robust and efficient configurational molecular sampling via Langevin dynamics

    Benedict Leimkuhler;Charles Matthews

  • ALGORITHMS FOR CONSTRAINED MOLECULAR DYNAMICS

    Eric Barth;Krzysztof Kuczera;Benedict J. Leimkuhler;Robert D. Skeel

  • Neural Information Processing Systems (NIPS)

    Xiaocheng Shang;Zhanxing Zhu;Benedict Leimkuhler;Amos Storkey

  • Integration Methods for Molecular Dynamics

    Benedict J. Leimkuhler;Sebastian Reich;Robert D. Skeel

  • A Stochastic Algorithm for the Isobaric-Isothermal Ensemble with Ewald Summations for All Long Range Forces.

    Michele Di Pierro;Ron Elber;Benedict Leimkuhler

  • The computation of averages from equilibrium and nonequilibrium Langevin molecular dynamics

    Benedict Leimkuhler;Charles Matthews;Gabriel Stoltz

  • Approximation methods for the consistent initialization of differential-algebraic equations

    B. Leimkuhler;L. R. Petzold;C. W. Gear

  • Molecular Dynamics : With Deterministic and Stochastic Numerical Methods

    Benedict Leimkuhler;Charles Matthews

  • The Adaptive Verlet Method

    Weizhang Huang;Benedict Leimkuhler

  • Comparing the Efficiencies of Stochastic Isothermal Molecular Dynamics Methods

    Benedict Leimkuhler;Emad Noorizadeh;Oliver Penrose

  • Symplectic integration of constrained Hamiltonian systems

    B. Leimkuhler;S. Reich

  • Adaptive stochastic methods for sampling driven molecular systems

    Andrew Jones;Benedict Leimkuhler

Frequent Co-Authors

Sebastian Reich
Sebastian Reich University of Potsdam
Robert D. Skeel
Robert D. Skeel Purdue University West Lafayette
Amos Storkey
Amos Storkey University of Edinburgh
Alan E. Mark
Alan E. Mark University of Queensland
Ron Elber
Ron Elber The University of Texas at Austin
Charles William Gear
Charles William Gear Princeton University
Peter Deuflhard
Peter Deuflhard Zuse Institute Berlin
Sergio A. Jimenez
Sergio A. Jimenez Thomas Jefferson University
Tamar Schlick
Tamar Schlick New York University
Martin Kröger
Martin Kröger ETH Zurich

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