Randomized time Riemannian Manifold Hamiltonian Monte Carlo
Whalley, Peter A., Paulin, Daniel, Leimkuhler, Benedict
Published in Statistics and computing (01.02.2024)
Published in Statistics and computing (01.02.2024)
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Journal Article
The Nosé–Poincaré Method for Constant Temperature Molecular Dynamics
Bond, Stephen D, Leimkuhler, Benedict J, Laird, Brian B
Published in Journal of computational physics (01.05.1999)
Published in Journal of computational physics (01.05.1999)
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Journal Article
DIMENSIONAL REDUCTIONS FOR THE COMPUTATION OF TIME―DEPENDENT QUANTUM EXPECTATIONS
MAZZI, Giacomo, LEIMKUHLER, Benedict J
Published in SIAM journal on scientific computing (01.01.2011)
Published in SIAM journal on scientific computing (01.01.2011)
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Journal Article
Extended Hamiltonian approach to continuous tempering
Gobbo, Gianpaolo, Leimkuhler, Benedict J
Published in Physical review. E, Statistical, nonlinear, and soft matter physics (01.06.2015)
Published in Physical review. E, Statistical, nonlinear, and soft matter physics (01.06.2015)
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Journal Article
Stabilized Integration of Hamiltonian Systems with Hard-Sphere Inequality Constraints
Bond, Stephen D., Leimkuhler, Benedict J.
Published in SIAM journal on scientific computing (01.01.2007)
Published in SIAM journal on scientific computing (01.01.2007)
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Journal Article
The canonical ensemble via symplectic integrators using Nosé and Nosé-Poincaré chains
Leimkuhler, Benedict J, Sweet, Christopher R
Published in The Journal of chemical physics (01.07.2004)
Published in The Journal of chemical physics (01.07.2004)
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Journal Article
Numerics with coordinate transforms for efficient Brownian dynamics simulations
Phillips, Dominic, Leimkuhler, Benedict, Matthews, Charles
Published in Molecular physics (02.05.2024)
Published in Molecular physics (02.05.2024)
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Journal Article
Ensemble preconditioning for Markov chain Monte Carlo simulation
Leimkuhler, Benedict, Matthews, Charles, Weare, Jonathan
Published in Statistics and computing (01.03.2018)
Published in Statistics and computing (01.03.2018)
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Journal Article
A Hamiltonian Formulation for Recursive Multiple Thermostats in a Common Timescale
Leimkuhler, Benedict J., Sweet, Christopher R.
Published in SIAM journal on applied dynamical systems (01.01.2005)
Published in SIAM journal on applied dynamical systems (01.01.2005)
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Journal Article