Benedict J. Leimkuhler

According to our database, Benedict J. Leimkuhler authored at least 40 papers between 1988 and 2024.

Collaborative distances:

• Dijkstra number of four.
• Erdős number of four.

2024

Randomized time Riemannian Manifold Hamiltonian Monte Carlo.

Peter A. Whalley, Daniel Paulin, Benedict J. Leimkuhler

Stat. Comput., February, 2024

Contraction and Convergence Rates for Discretized Kinetic Langevin Dynamics.

Benedict J. Leimkuhler, Daniel Paulin, Peter A. Whalley

SIAM J. Numer. Anal., 2024

Numerical integrators for confined Langevin dynamics.

Ben Leimkuhler, Akash Sharma, Michael V. Tretyakov

CoRR, 2024

2023

Unbiased Kinetic Langevin Monte Carlo with Inexact Gradients.

Neil K. Chada, Benedict J. Leimkuhler, Daniel Paulin, Peter A. Whalley

CoRR, 2023

Numerical Methods with Coordinate Transforms for Efficient Brownian Dynamics Simulations.

Dominic Phillips, Charles Matthews, Benedict J. Leimkuhler

CoRR, 2023

Contraction Rate Estimates of Stochastic Gradient Kinetic Langevin Integrators.

Benedict J. Leimkuhler, Daniel Paulin, Peter A. Whalley

CoRR, 2023

2022

Efficient Numerical Algorithms for the Generalized Langevin Equation.

Benedict J. Leimkuhler, Matthias Sachs

SIAM J. Sci. Comput., 2022

Multirate Training of Neural Networks.

Tiffany J. Vlaar, Benedict J. Leimkuhler

Proceedings of the International Conference on Machine Learning, 2022

2021

Better Training using Weight-Constrained Stochastic Dynamics.

Benedict J. Leimkuhler, Tiffany J. Vlaar, Timothée Pouchon, Amos J. Storkey

Proceedings of the 38th International Conference on Machine Learning, 2021

2020

Hypocoercivity Properties of Adaptive Langevin Dynamics.

Benedict J. Leimkuhler, Matthias Sachs, Gabriel Stoltz

SIAM J. Appl. Math., 2020

Simplest random walk for approximating Robin boundary value problems and ergodic limits of reflected diffusions.

Benedict J. Leimkuhler, Akash Sharma, Michael V. Tretyakov

CoRR, 2020

Constraint-Based Regularization of Neural Networks.

Benedict J. Leimkuhler, Timothée Pouchon, Tiffany Vlaar, Amos J. Storkey

CoRR, 2020

2019

MIST: A simple and efficient molecular dynamics abstraction library for integrator development.

Iain Bethune, Ralf Banisch, Elena Breitmoser, Antonia B. K. Collis, Gordon Gibb, Gianpaolo Gobbo, Charles Matthews, Graeme J. Ackland, Benedict J. Leimkuhler

Comput. Phys. Commun., 2019

Partitioned integrators for thermodynamic parameterization of neural networks.

Benedict J. Leimkuhler, Charles Matthews, Tiffany Vlaar

CoRR, 2019

Transferability of Operational Status Classification Models Among Different Wind Turbine Types.

Zofia Trstanova, Anton Martinsson, Charles Matthews, Sergio Jimenez, Benedict J. Leimkuhler, T. Van Delft, Michael Wilkinson

CoRR, 2019

TATi-Thermodynamic Analytics ToolkIt: TensorFlow-based software for posterior sampling in machine learning applications.

Frederik Heber, Zofia Trstanova, Benedict J. Leimkuhler

CoRR, 2019

2018

Ensemble preconditioning for Markov chain Monte Carlo simulation.

Benedict J. Leimkuhler, Charles Matthews, Jonathan Weare

Stat. Comput., 2018

Quantifying Configuration-Sampling Error in Langevin Simulations of Complex Molecular Systems.

Josh Fass, David A. Sivak, Gavin E. Crooks, Kyle Beauchamp, Benedict J. Leimkuhler, John D. Chodera

Entropy, 2018

2017

Langevin Dynamics with Variable Coefficients and Nonconservative Forces: From Stationary States to Numerical Methods.

Matthias Sachs, Benedict J. Leimkuhler, Vincent Danos

Entropy, 2017

2016

Adaptive Thermostats for Noisy Gradient Systems.

Benedict J. Leimkuhler, Xiaocheng Shang

SIAM J. Sci. Comput., 2016

Pairwise adaptive thermostats for improved accuracy and stability in dissipative particle dynamics.

Benedict J. Leimkuhler, Xiaocheng Shang

J. Comput. Phys., 2016

2015

On the numerical treatment of dissipative particle dynamics and related systems.

Benedict J. Leimkuhler, Xiaocheng Shang

J. Comput. Phys., 2015

The adaptive buffered force QM/MM method in the CP2K and AMBER software packages.

Letif Mones, Andrew Jones, Andreas W. Götz, Teodoro Laino, Ross C. Walker, Ben Leimkuhler, Gábor Csányi, Noam Bernstein

J. Comput. Chem., 2015

Covariance-Controlled Adaptive Langevin Thermostat for Large-Scale Bayesian Sampling.

Xiaocheng Shang, Zhanxing Zhu, Benedict J. Leimkuhler, Amos J. Storkey

Proceedings of the Advances in Neural Information Processing Systems 28: Annual Conference on Neural Information Processing Systems 2015, 2015

2011

Dimensional Reductions for the Computation of Time-Dependent Quantum Expectations.

Giacomo Mazzi, Benedict J. Leimkuhler

SIAM J. Sci. Comput., 2011

2010

Simplified Modelling of a Thermal Bath, with Application to a Fluid Vortex System.

Svetlana Dubinkina, Jason Frank, Ben Leimkuhler

Multiscale Model. Simul., 2010

2007

Stabilized Integration of Hamiltonian Systems with Hard-Sphere Inequality Constraints.

Stephen D. Bond, Benedict J. Leimkuhler

SIAM J. Sci. Comput., 2007

2005

A Hamiltonian Formulation for Recursive Multiple Thermostats in a Common Timescale.

Benedict J. Leimkuhler, Christopher R. Sweet

SIAM J. Appl. Dyn. Syst., 2005

A Projective Thermostatting Dynamics Technique.

Zhidong Jia, Benedict J. Leimkuhler

Multiscale Model. Simul., 2005

2003

A parallel multiple time-scale reversible integrator for dynamics simulation.

Zhidong Jia, Benedict J. Leimkuhler

Future Gener. Comput. Syst., 2003

2001

An Improved Dynamical Formulation for Constant Temperature and Pressure Dynamics, with Application to Particle Fluid Models.

Benedict J. Leimkuhler

Proceedings of the Computational Science - ICCS 2001, 2001

2000

A Time-Reversible, Regularized, Switching Integrator for the <i>N</i>-Body Problem.

Anne Kværnø, Ben Leimkuhler

SIAM J. Sci. Comput., 2000

1999

A Time-Reversible Variable-Stepsize Integrator for Constrained Dynamics.

Eric Barth, Benedict J. Leimkuhler, Sebastian Reich

SIAM J. Sci. Comput., 1999

Comparison of Geometric Integrators for Rigid Body Simulation.

Benedict J. Leimkuhler

Proceedings of the Computational Molecular Dynamics: Challenges, Methods, Ideas, 1999

1998

Time-transformations for reversible variable stepsize integration.

Stephen D. Bond, Benedict J. Leimkuhler

Numer. Algorithms, 1998

1997

The Adaptive Verlet Method.

Weizhang Huang, Benedict J. Leimkuhler

SIAM J. Sci. Comput., 1997

1995

Algorithms for Constrained Molecular Dynamics.

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

J. Comput. Chem., 1995

1993

Estimating Waveform Relaxation Convergence.

Ben Leimkuhler

SIAM J. Sci. Comput., 1993

1991

Waveform relaxation for linear RC-circuits.

Ben Leimkuhler, Ulla Miekkala, Olavi Nevanlinna

IMPACT Comput. Sci. Eng., 1991

1988

Approximation Methods for the Consistent Initialization of Differential-Algebraic Equations

Benedict J. Leimkuhler

PhD thesis, 1988