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Today we would like to draw your attention to one recent paper related to the first microsecond scale ReaxFF simulations using Parallel Replica Dynamics algorithms:
Joshi, K., Raman, S., and van Duin, A., 2013. Connectivity-Based Parallel Replica Dynamics for Chemically Reactive Systems: From Femtoseconds to Microseconds. Journal of Physical Chemistry Letters 4, 3792-3797.
This paper is based on a collaboration between Adri’s research group at Pennsylvania State University and Exxon Mobile.