[12] Cardenas, A., and Barth, E., Extending the timescale in atomically detailed simulations (pdf), Reviews in Computational Chemistry, Kenny B. Lipkowitz and Thomas R. Cundari, Eds., VCH Publishers, New York (2007) [submitted]
[11] Barth, E., Leimkuhler, B., and Sweet, C.R. Approach to Thermal Equilibrium in Biomolecular Simulation (pdf), Lecture Notes in Computational Science and Engineering (2005)
click to see the abstract[10] Barth, E., Laird, B., Leimkuhler, B., Generating Generalized Distributions from Dynamical Simulation (postscipt), Journal of Chemical Physics, 118: 5957--5968 (2003)
click to see the abstract[9] Barth, E., Leimkuhler, B. and Reich, S., A Test Set for Molecular Dynamics (pdf) Lecture Notes in Computational Science and Engineering, Vol. 24, 73-103, 2002
click to see the abstract
[8] P. Benner, R. Byers and E. Barth, HAMEV and SQRED: Fortran 77 Subroutines for Computing the Eigenvalues of Hamiltonian Matrices Using VanLoan's Square Reduced Method (postscript)
ACM Transactions on Mathematical Software, Volume 26, Number 1 (2000)
click to see the abstract[7] E. Barth, B. Leimkuhler and S. Reich A Semi-Explicit, Time-Reversible, Variable-Stepsize Integrator for Constrained Dynamics (postscript)
SIAM Journal on Scientific Computing, Volume 21, Number 3, pp. 1027-1044 (1999)
click to see the abstract[6] E. Barth and T. Schlick Overcoming Stability Limitations in Biomolecular Dynamics:
Combining Force Splitting via Extrapolation with Langevin Dynamics in LN (pdf),
Journal of Chemical Physics 109: 1617-1632 (1998)
click to see the abstract[5] E. Barth and T. Schlick, Extrapolation versus Impulse in Multiple-Timestepping Schemes: Linear Analysis and Applications to Newtonian and Langevin Dynamics (pdf) ,
Journal of Chemical Physics 109: 1633-1642 (1998)
click to see the abstract
[4] T. Schlick, E. Barth and M. Mandziuk, Biomolecular Dynamics at Long Timesteps: Bridging the Timescale Gap Between Simulation and Experimentation (pdf) , in Annual Review of Biophysics and Biomolecular Structure, Volume 26, pp 179--220, Robert M. Stroud, Editor (1997).
click to see the abstract[3] E. Barth and B. Leimkuhler, Symplectic Methods for Conservative Multibody Systems (postscript),
in Integration Algorithms for Classical Mechanics, Fields Institute Communications, vol. 10, pp. 25-43, American Mathematical Society (1996)
click to see the abstract[2] E. Barth, M. Mandziuk and T. Schlick, A Separating Framework for Increasing the Timestep in Molecular Dynamics
in Computer Simulation of Biomolecular Systems: Theoretical and Experimental Applications, Volume 3, W.F. van Gunsteren, P.K. Weiner and A. J. Wilkinson, Editors, ESCOM, Leiden, The Netherlands, (1996).
click to see the abstract[1] E. Barth, K. Kuczera, B. Leimkuhler, and R.D. Skeel
Algorithms for Constrained Molecular Dynamics (pdf),
Journal of Computational Chemistry, 16:1192-1209 (1995).
click to see the abstract