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Infinite swapping replica exchange molecular dynamics leads to a simple simulation patch using mixture potentials.
(J Chem Phys, 2013-02-28)
Replica exchange molecular dynamics (REMD) becomes more efficient as the frequency of swap between the temperatures is increased. Recently Plattner et al. [J. Chem. Phys. 135, 134111 (2011)] proposed a method to implement ...
Convergence of a Force-Based Hybrid Method in Three Dimensions
(Communications on Pure and Applied Mathematics, 2013-01-01)
We study a force-based hybrid method that couples an atomistic model with the Cauchy-Born elasticity model. We show that the proposed scheme converges to the solution of the atomistic model with second-order accuracy, since ...