- Lei Huang and Dmitrii E. Makarov, On the calculation of absolute free energies from molecular dynamics or Monte Carlo data, J. Chem. Phys. 124, 064108 (2006). link
Quantum and classical rate theory
- V.A. Benderskii, D.E. Makarov, and C.A. Wight, Chemical Dynamics at Low Temperatures, Wiley, New York, 1994. Link
- G. Mills, G.K. Schenter, D.E. Makarov, and H. Jonsson, RAW quantum transition state theory, in “Classical and Quantum Dynamics in Condensed Phase Simulations”, ed. B. J. Berne, G. Ciccotti and D. F. Coker (World Scientific, 1998).
- Brad Dickson, Dmitrii E. Makarov, and Graeme Henkelman, Pitfalls of choosing an order parameter for rare event calculations, Journal of Chemical Physics 131 (2009), 074108. Link