Publications

1. H. Yoshida. (1990) "Construction of higher order symplectic integrators". Phys. Lett. A 150, (5–7): 262. DOI:10.1016/0375-9601(90)90092-3.
2. B. Leimkuhler and C. Matthews. (2012) “Rational Construction of Stochastic Numerical Methods for Molecular Sampling”, Applied Mathematics Research Express, Vol. 2012, DOI: 10.1093/amrx/abs010.
3. B. Leimkuhler and C. Matthews. (2013) "Robust and efficient configurational molecular sampling via Langevin Dynamics ", Journal of Chemical Physics, 138: 174102, DOI: 10.1063/1.4802990
4. G. Gobbo and B. Leimkuhler. (2015) "Extended Hamiltonian approach to continuous tempering", Physical Review E 91, DOI: 10.1103/PhysRevE.91.061301.
5. P. Nguyen, Y. Okamato and P. Derreumaux. (2013) "Communication: Simulated tempering with fast on-the-fly weight determination", Journal of Chemical Physics 138, 061102 DOI: 10.1063/1.4792046
6. T. Zhang, P. Nguyen, J. Nassica-Labouze, Y. Mu and P. Derreumaux. (2015) "Folding Atomistic Proteins in Explicit Solvent Using Simulated Tempering", Physical Chemistry B 119, 23 DOI: 10.1021/acs.jpcb.5b03381
7. I. Bethune, R. Banisch, E. Breitmoser, A. Collis, G. Gibb, G. Gobbo, C. Matthews, G. Ackland, and B. Leimkuhler. (2019) "MIST: A Simple and Efficient Molecular Dynamics Abstraction Library for Integrator Development", Computer Physics Communications 236 DOI: 10.1016/j.cpc.2018.10.006

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