Ring polymer molecular dynamics: Quantum effects in chemical dynamics from classical trajectories in an extended phase space. S. Habershon, D. E. Manolopoulos, T. E. Markland and T. F. Miller, Ann. Rev. Phys. Chem. 64, 387-413 (2013).
The inefficiency of re-weighted sampling and the curse of system size in high-order path integration. M. Ceriotti, G. A. R. Brain, O. Riordan and D. E. Manolopoulos, Proc. Roy. Soc. A 468, 2 (2012).
Bimolecular reaction rates from ring polymer molecular dynamics: Application to H+CH4 to H2+CH3. Y. V. Suleimanov, R. Collepardo-Guevara and D. E. Manolopoulos, J. Chem. Phys. 134, 044131 (2011).
Efficient stochastic thermostatting of path integral molecular dynamics. M. Ceriotti, M. Parrinello, T. E. Markland and D. E. Manolopoulos, J. Chem. Phys. 133, 124104 (2010).
Competing quantum effects in the dynamics of a flexible water model. S. Habershon, T. E. Markland and D. E. Manolopoulos, J. Chem. Phys. 131, 024501 (2009).