stephenbond's library 244 articles Export

	Scaling invariance and adaptivity [My Copy] No. 99/18. (1999) by Chris J. Budd, Benedict Leimkuhler, Mathew Piggott posted to time-transformation variable_timestep by stephenbond on 2009-04-17 19:46:59 as
	Variable step implementation of geometric integrators [My Copy] No. 12/97. (1997) by M. P. Calvo, López M. A. Marcos, Sanz J. M. Serna posted to geometric_integration symplectic time_reversible variable_timestep by stephenbond on 2009-04-17 19:46:59 as
	Extrapolation and perturbation schemes for accelerating the convergence of quantum mechanical free energy calculations via the Fourier path-integral Monte Carlo method [My Copy] J. Chem. Phys., Vol. 112, No. 20. (2000), pp. 8758-8764. by Steven L. Mielke, Jay Srinivasan, Donal G. Truhlar posted to file-import-09-04-17 by stephenbond on 2009-04-17 19:46:59 as
	Explicit variable step-size and time-reversible integration [My Copy] BIT, Vol. to appear (2000), pp. 1-10. by Thomas Holder, Ben Leimkuhler, Sebastian Reich posted to time-transformation variable_timestep verlet by stephenbond on 2009-04-17 19:46:59 as
	Symplectic algorithm for constant-pressure molecular dynamics using a Nosé-Poincaré thermostat [My Copy] J. Chem. Phys., Vol. 112 (2000), pp. 3474-3482. by Jess Sturgeon, Brian Laird posted to constant_pressure constant_temperature nose_poincare by stephenbond on 2009-04-17 19:46:59 as
	Asymptotic Error Analysis of the Adaptive Verlet Method [My Copy] BIT, Vol. 39, No. 1. (1999), pp. 25-33. by Stéphane Cirilli, Ernst Hairer, Benedict Leimkuhler posted to variable_timestep verlet by stephenbond on 2009-04-17 19:46:59 as
	Asymptotic convergence rates of Fourier path integral methods [My Copy] J. Chem. Phys., Vol. 110, No. 14. (1999), pp. 6657-6672. by Maria Eleftheriou, J. D. Doll, E. Curotto, David L. Freeman posted to fourier monte_carlo partial_averaging path_integral by stephenbond on 2009-04-17 19:46:59 as
	Backward error analysis for numerical integrators [My Copy] SIAM J. Numer. Anal., Vol. 36 (1999), pp. 1549-1570. by Sebastian Reich posted to backward_error_analysis goemetric_integration statistical_mechanics by stephenbond on 2009-04-17 19:46:59 as
	A comparison of the efficiency of Fourier and discrete time-path integral Monte CArlo [My Copy] J. Chem. Phys., Vol. 109, No. 6. (1998), pp. 2123-2134. by C. Chakravarty, M. C. Gordillo, D. M. Ceperley posted to file-import-09-04-17 by stephenbond on 2009-04-17 19:46:59 as
	A symplectic method for rigid-body molecular simulation [My Copy] J. Chem. Phys., Vol. 107, No. 7. (1997), pp. 2580-2588. by Ayla Kol, Brian B. Laird, Benedict J. Leimkuhler posted to molecular_dynamics rigid_bodies shake by stephenbond on 2009-04-17 19:46:59 as
	Simple reversible molecular dynamics algorithms for Nosé-Hoover chain dynamics [My Copy] J. Chem. Phys., Vol. 107, No. 22. (1997), pp. 9514-9526. by Seogjoo Jang, Gregory A. Voth posted to file-import-09-04-17 by stephenbond on 2009-04-17 19:46:59 as
	The lifespan of backward error analysis for numerical integrators [My Copy] Numer. Math., Vol. 76 (1997), pp. 441-462. by Ernst Hairer, Christian Lubich posted to backward_error_analysis sympletic by stephenbond on 2009-04-17 19:46:59 as
	Reversible long-term integration with variable stepsizes [My Copy] SIAM J. Sci. Comput., Vol. 18, No. 1. (1997), pp. 257-269. by Ernst Hairer, Daniel Stoffer posted to symplectic time_reversible time_transformation verlet by stephenbond on 2009-04-17 19:46:59 as
	Variable time step integration with symplectic methods [My Copy] Appl. Numer. Math., Vol. 25 (1997), pp. 219-227. by Ernst Hairer posted to poincare_transformation symplectic time_transformation variable_timestep verlet by stephenbond on 2009-04-17 19:46:58 as
	A symplectic splitting method for rigid-body molecular dynamics [My Copy] J. Chem. Phys., Vol. 107 (1997), pp. 5840-5851. by A. Dullweber, B. Leimkuhler, R. Mclachlan posted to rigid_bodies splitting_methods symplectic by stephenbond on 2009-04-17 19:46:58 as
	Grand canonical ensemble molecular dynamics simulations: Reformulation of extended system dynamics approaches [My Copy] J. Chem. Phys., Vol. 107, No. 20. (1997), pp. 8594-8609. by Gillian C. Lynch, Montgomery B. Pettitt posted to file-import-09-04-17 by stephenbond on 2009-04-17 19:46:58 as
	The Adaptive Verlet method [My Copy] SIAM J. Sci. Comput., Vol. 18 (1997), pp. 239-256. by W. Huang, B. Leimkuhler posted to time_reversible time_transformation verlet by stephenbond on 2009-04-17 19:46:58 as
	On the stability of symplectic and energy-momentum algorithms for non-linear Hamiltonian systems with symmetry [My Copy] Comput. Methods Appl. Mech. Engrg., Vol. 134, No. 3-4. (1996), pp. 197-222. by O. Gonzalez, J. C. Simo posted to file-import-09-04-17 by stephenbond on 2009-04-17 19:46:58 as
	Explicit reversible integrators for extended systems dynamics [My Copy] Mol. Phys., Vol. 87, No. 5. (1996), pp. 1117-1157. by Glenn J. Martyna, Mark E. Tuckerman, Douglas J. Tobias, Michael L. Klein posted to explicit nose_hoover by stephenbond on 2009-04-17 19:46:58 as
	Symplectic partitioned Runge-Kutta methods for constrained Hamiltonian systems [My Copy] SIAM J. Num. Anal., Vol. 33 (1996), pp. 368-387. by L. O. Jay posted to file-import-09-04-17 by stephenbond on 2009-04-17 19:46:58 as
	Molecular dynamics of rigid molecules [My Copy] J. Chem. Phys., Vol. 105, No. 3. (1996), pp. 1131-1141. by Aurel Bulgac, Maria A. Trache posted to molecular_dynamics rigid_bodies shake by stephenbond on 2009-04-17 19:46:58 as
	Time reversible and phase-space conserving molecular dynamics at constant temperature [My Copy] J. Chem. Phys., Vol. 102, No. 22. (1995), pp. 9018-9025. by Roland G. Winkler, Volker Kraus, Peter Reineker posted to file-import-09-04-17 by stephenbond on 2009-04-17 19:46:58 as
	Building a better leapfrog [My Copy] Astrophys. J., Vol. 443 (1995), pp. L93-L96. by Piet Hut, Jun Makino, Steve Mcmillan posted to file-import-09-04-17 by stephenbond on 2009-04-17 19:46:58 as
	Variable steps for reversible methods [My Copy] Computing, Vol. 55 (1995), pp. 1-22. by D. Stoffer posted to file-import-09-04-17 by stephenbond on 2009-04-17 19:46:58 as
	Equivariant constrained symplectic integration [My Copy] J. Nonlinear Sci., Vol. 5 (1995), pp. 233-256. by Robert I. Mclachlan, Clint Scovel posted to constraints symplectic by stephenbond on 2009-04-17 19:46:58 as
	On the numerical integration of ordinary differential equations by symmetric composition methods [My Copy] SIAM J. Sci. Comput., Vol. 16, No. 1. (1995), pp. 151-168. by Robert I. Mclachlan posted to splitting_methods symplectic by stephenbond on 2009-04-17 19:46:57 as
	Accurate long-term integration of dynamical systems [My Copy] Appl. Numer. Math., Vol. 18 (1995), pp. 95-105. by M. P. Calvo, E. Hairer posted to geometric_integration long_time_integration by stephenbond on 2009-04-17 19:46:57 as
	Nosé-Hoover molecular-dynamics study of self-pipe-diffusion in gold using many-atom interactions [My Copy] Phys. Rev. B, Vol. 50, No. 9. (1994), pp. 6450-6452. by Juhani von Boehm, Risto M. Nieminen posted to file-import-09-04-17 by stephenbond on 2009-04-17 19:46:57 as
	Momentum conserving symplectic integrators [My Copy] Physica D, Vol. 76 (1994), pp. 375-383. by S. Reich posted to geometric_integration symplectic by stephenbond on 2009-04-17 19:46:57 as
	Symplectic numerical integrators in constrained Hamiltonian systems [My Copy] J. Comput. Phys., Vol. 112 (1994), pp. 117-125. by Bennedict Leimkuhler, Robert Skeel posted to constraints shake symplectic by stephenbond on 2009-04-17 19:46:57 as
	Backward analysis of numerical integrators and symplectic methods [My Copy] Annals of Numerical Mathematics, Vol. 1 (1994), pp. 107-132. by Ernst Hairer posted to backward_error_analysis sympletic by stephenbond on 2009-04-17 19:46:57 as
	The development of variable-step symplectic integators with application to the two-body problem [My Copy] SIAM J. Sci. Comput., Vol. 14 (1993), pp. 936-952. by M. P. Calvo, Sanz J. M. Serna posted to symplectic variable_timestep by stephenbond on 2009-04-17 19:46:57 as
	Symplectic partitioned Runge-Kutta methods [My Copy] J. Comput. Math., Vol. 11, No. 4. (1993), pp. 365-372. by Geng Sun posted to file-import-09-04-17 by stephenbond on 2009-04-17 19:46:57 as
	Explicit Lie-Poisson integration and the Euler equations [My Copy] Phys. Rev. Lett., Vol. 71 (1993), pp. 3043-3046. by Robert I. Mclachlan posted to rigid_bodies symplectic by stephenbond on 2009-04-17 19:46:57 as
	Reversible multiple time scale molecular dynamics [My Copy] J. Chem. Phys., Vol. 97, No. 3. (1992), pp. 1990-2001. by M. Tuckerman, B. J. Berne, G. J. Martyna posted to molecular_dynamics multiple_timestepping by stephenbond on 2009-04-17 19:46:57 as
	General theory of higher-order decomposition of exponential operators and symplectic integrators [My Copy] Phys. Lett. A, Vol. 165 (1992), pp. 387-395. by M. Suzuki posted to file-import-09-04-17 by stephenbond on 2009-04-17 19:46:57 as
	Chaos and Time-Reversal Symmetry. Order and Chaos in Reversible Dynamical Systems [My Copy] Phys. Rep., Vol. 216, No. 4. (1992), pp. 63-177. by J. A. G. Roberts, G. R. W. Quispel posted to geometric_integration time_reversible by stephenbond on 2009-04-17 19:46:57 as
	Hybrid Monte Carlo method for condensed matter systems [My Copy] Phys. Rev. B, Vol. 45 (1992), pp. 679-685. by B. Mehlig, D. W. Heermann, B. M. Forest posted to file-import-09-04-17 by stephenbond on 2009-04-17 19:46:57 as
	Does variable stepsize ruin a symplectic integrator? [My Copy] Physica D, Vol. 60 (1992), pp. 311-313. by C. W. Gear, R. D. Skeel posted to symplectic variable_timestep by stephenbond on 2009-04-17 19:46:57 as
	Nosé-Hoover chains: The canonical ensemble via continuous dynamics [My Copy] J. Chem. Phys., Vol. 97, No. 4. (1992), pp. 2635-2643. by Glenn J. Martyna, Michael L. Klein, Mark Tuckerman posted to nose_hoover nose_hoover_chains by stephenbond on 2009-04-17 19:46:57 as
	Constant Temperature Molecular Dynamics Methods [My Copy] Prog. Theor. Phys. Supp., Vol. 103 (1991), pp. 1-46. by Shuichi Nosé posted to constant_temperature molecular_dynamics nose_hoover by stephenbond on 2009-04-17 19:46:57 as
	Equilibrium and Dynamical Fourier Path Integral Methods [My Copy] Adv. Chem. Phys., Vol. 78 (1990), pp. 61-127. by Jimmie D. Doll, David L. Freeman, T. L. Beck posted to fourier monte_carlo path_integral by stephenbond on 2009-04-17 19:46:57 as
	Construction of higher order symplectic integrators [My Copy] Phys. Lett. A, Vol. 150 (1990), pp. 262-269. by H. Yoshida posted to file-import-09-04-17 by stephenbond on 2009-04-17 19:46:57 as
	Canonical ensemble averages from pseudomicrocanonical dynamics [My Copy] Phys. Rev. A, Vol. 42, No. 8. (1990), pp. 5045-5048. by Aurel Bulgac, Dimitri Kusnezov posted to constant_temperature molecular_dynamics nose_hoover by stephenbond on 2009-04-17 19:46:57 as
	Molecular Dynamics at Constant Temperature [My Copy] Phys. Scripta, Vol. T33 (1990), pp. 98-101. by S. Toxvaerd, O. H. Olson posted to file-import-09-04-17 by stephenbond on 2009-04-17 19:46:56 as
	Constant-temperature molecular dynamics [My Copy] J. Phys. - Condens. Mat., Vol. 2 (1990), pp. SA115-SA119. by Shuichi Nosé posted to constant_temperature molecular_dynamics nose_hoover by stephenbond on 2009-04-17 19:46:56 as
	Time-reversible equilibrium and nonequilibrium isothermal-isobaric simulations with centered-difference Stoermer algorithms [My Copy] Phys. Rev. A, Vol. 41, No. 8. (1990), pp. 4552-4553. by Brad L. Holian, Anthony J. De Groot, William G. Hoover, Carol G. Hoover posted to explicit nose_hoover by stephenbond on 2009-04-17 19:46:56 as
	Exponential power series expansion for the quantum time evolution operator [My Copy] J. Chem. Phys., Vol. 90, No. 2. (1989), pp. 904-911. by Nancy Makri, William H. Miller posted to monte_carlo path_integral power_series by stephenbond on 2009-04-17 19:46:56 as
	The Effects of Truncating Long-Range Forces on Protein Dynamics [My Copy] Proteins, Vol. 6 (1989), pp. 32-45. by Richard J. Loncharich, Bernard R. Brooks posted to cut-off molecular_dynamics by stephenbond on 2009-04-17 19:46:56 as
	Cumulant methods and short time propagators [My Copy] J. Chem. Phys., Vol. 91 (1989), pp. 4242-4248. by Rob D. Coalson, David L. Freeman, J. D. Doll posted to partial_averaging path_integral by stephenbond on 2009-04-17 19:46:56 as

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file-import-09-04-17	51
molecular_dynamics	38
symplectic	28
poisson-boltzmann	27
path_integral	22
constant_temperature	20
geometric_integration	19
free_energy	16
poisson	15
time_reversible	12
electrostatics	11
thermodynamic_integration	11
nose-hoover	10
verlet	10
nose_hoover	9
variable_timestep	9
backward_error_analysis	8
constraints	8
finite-element-method	8
hard-spheres	8
monte_carlo	8
multigrid	8
shake	8
wham	7
fourier	6
nose-poincare	6
umbrella_sampling	6
adaptive_biasing_force	5
constant_pressure	5
electrodiffusion	5
free_energy_perturbation	5
method_of_lines	5
potential_of_mean_force	5
boundary_element_method	4
discrete_lagrangian	4
ergodicity	4
generalized_born	4
histogram	4
jarzynski	4
mechanics	4
partial_averaging	4
rigid_bodies	4
splitting_methods	4
time-transformation	4
boundary_integral_equation	3
brownian_dynamics	3
ewald	3
hierarchical_basis	3
numerical_analysis	3
particle_mesh_ewald	3
quantum_mechanics	3
statistical_mechanics	3
time_transformation	3
variational_integrator	3
chaos	2
coarse-graining	2
explicit	2
feynman-kac	2
finite-differences	2
finite-volume	2
granular	2
integral_equations	2
multiscale	2
neuromuscular	2
n-widths	2
partition_of_unity	2
poisson-nernst-planck	2
preconditioning	2
sparse	2
statistics	2
sympletic	2
transition_path_sampling	2
adaptive_mesh_refinement	1
additive_schwarz	1
averaging	1
bank-holst	1
bennett_acceptance_ratio	1
bpx	1
charmm	1
continuation_method	1
cut-off	1
discretized_cartesian	1
eigenvalues	1
energy_conserving	1
fetk	1
geometric_mechanics	1
goemetric_integration	1
helmholtz	1
hydrodynamics	1
hyperdynamics	1
integrable_systems	1
krylov_methods	1
laplacian	1
leapfrog	1
lennard-jones	1
long_time_integration	1
maximum_likelihood	1
monte-carlo	1
multiple_timestepping	1
namd	1
nonparametric	1
nose_hoover_chains	1
nose_poincare	1
null_space	1
ordinary_differential_equations	1
pka	1
pltmg	1
poincare_transformation	1
power_series	1
primitive_algorithm	1
quantum	1
reference_potential	1
singular_value_decomposition	1
smoluchowski	1
spin_system	1
synapse	1
temperature_accelerated	1
texture	1
thermodynamics	1
wavelet_modified_hierarchical_basis	1
weighted_residual_method	1

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