359 citations · 525 across the 4 of their papers we have counts for
4 papers
Improving the Scaling and Performance of Multiple Time Stepping based Molecular Dynamics with Hybrid Density Functionals
Sagarmoy Mandal, Ritama Kar, Tobias Kloeffel +2
Density functionals at the level of the Generalized Gradient Approximation (GGA) and a plane-wave basis set are widely used today to perform ab initio molecular dynamics (AIMD) sim…
Exact calculations of first-passage quantities on recursive networks
B. Meyer, E. Agliari, O. Bénichou +1
We present general methods to exactly calculate mean-first passage quantities on self-similar networks defined recursively. In particular, we calculate the mean first-passage time…
Geometry-controlled kinetics
O. Bénichou, C. Chevalier, J. Klafter +2
It has long been appreciated that transport properties can control reaction kinetics. This effect can be characterized by the time it takes a diffusing molecule to reach a target -…
Facilitated diffusion of proteins on chromatin
O. Benichou, C. Chevalier, B. Meyer +1
We present a theoretical model of facilitated diffusion of proteins in the cell nucleus. This model, which takes into account the successive binding/unbinding events of proteins to…