Molecular dynamics and the accuracy of numerically computed averages von Bond, Stephen D., Leimkuhler, Benedict J.

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The canonical ensemble via symplectic integrators using Nosé and Nosé-Poincaré chains von Leimkuhler, Benedict J, Sweet, Christopher R

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The Nosé–Poincaré Method for Constant Temperature Molecular Dynamics von Bond, Stephen D, Leimkuhler, Benedict J, Laird, Brian B

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A Hamiltonian Formulation for Recursive Multiple Thermostats in a Common Timescale von Leimkuhler, Benedict J., Sweet, Christopher R.

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DIMENSIONAL REDUCTIONS FOR THE COMPUTATION OF TIME―DEPENDENT QUANTUM EXPECTATIONS von MAZZI, Giacomo, LEIMKUHLER, Benedict J

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Contraction and Convergence Rates for Discretized Kinetic Langevin Dynamics von Leimkuhler, Benedict J., Paulin, Daniel, Whalley, Peter A.

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Extended Hamiltonian approach to continuous tempering von Gobbo, Gianpaolo, Leimkuhler, Benedict J

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Stabilized Integration of Hamiltonian Systems with Hard-Sphere Inequality Constraints von Bond, Stephen D., Leimkuhler, Benedict J.

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MIST: A simple and efficient molecular dynamics abstraction library for integrator development von Bethune, Iain, Banisch, Ralf, Breitmoser, Elena, Collis, Antonia B.K., Gibb, Gordon, Gobbo, Gianpaolo, Matthews, Charles, Ackland, Graeme J., Leimkuhler, Benedict J.

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A Projective Thermostatting Dynamics Technique von Jia, Zhidong, Leimkuhler, Benedict J.

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A symplectic method for rigid-body molecular simulation von Kol, Ayla, Laird, Brian B., Leimkuhler, Benedict J.

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

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STABILIZED INTEGRATION OF HAMILTONIAN SYSTEMS WITH HARD-SPHERE INEQUALITY CONSTRAINTS von BOND, Stephen D, LEIMKUHLER, Benedict J

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Symplectic Numerical Integrators in Constrained Hamiltonian Systems von Leimkuhler, Benedict J., Skeel, Robert D.

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Time-transformations for reversible variable stepsize integration von Bond, Stephen D, Leimkuhler, Benedict J

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Generalized dynamical thermostating technique von Laird, Brian B, Leimkuhler, Benedict J

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Generating generalized distributions from dynamical simulation von Barth, Eric J., Laird, Brian B., Leimkuhler, Benedict J.

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On the approximation of Feynman–Kac path integrals von Bond, Stephen D., Laird, Brian B., Leimkuhler, Benedict J.

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A molecular dynamics algorithm for mixed hard-core/continuous potentials von HOUNDONOUGBO, YAO A., LAIRD, BRIAN B., LEIMKUHLER, BENEDICT J.

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A molecular dynamics algorithm for mixed hard-core/continuous potentials von A. Houndonougbo, Brian B. Laird, Be, Yao

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