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Title:
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Recent Developments in Nanoscale Simulations: From Quantum to Coarse-Grained Modeling 

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Organizers:
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Shaofan Li
Department of Civil Engineering
University of California at Berkeley
Berkeley, CA 94720
(Email) li@newton.berkeley.edu

Ju Li
Department of Materials Science and Engineering
The Ohio State University
Columbus, OH 43210
(Email) li.562@osu.edu

Sukky Jun
Department of Mechanical Engineering
University of Wyoming
Laramie, WY 82071
(Email) sjun@uwyo.edu 

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Minisymposium description:
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The minisymposium will focus on the recent developments in novel theoretical formulations, 
numerical algorithms, as well as applications of nanoscale simulations. Scope will span from 
quantum, atomistic, mesoscale, to coarse-graning simulations. Multiscale and concurrent 
modeling will be the other major facet of the concentrated theme. The minisymposium will as 
well provide a forum for the growing interests in the exploration of transition pathways on 
potential energy surfaces. Diverse applications and high-performance computing are encouraged 
to be presented. Topics include (but not limited to):

* Multiscale simulations such as concurrent couplings, QM/MM methods, quasicontinuum approaches, 
  and multiple time-scale modeling
* Novel approaches for ab initio methods, tight-binding simulations, ensemble and non-equilibrium 
  molecular dynamics, kinetic Monte Carlo method, and coarse-graining approximations
* Nudged elastic band method, action-derived molecular dynamics, transition path sampling, dimer 
  method, an so on.
* Cutting edge applications and high-performance computing for nanoscale simulations residing in 
  the overlapping areas between chemistry, biology, physics, materials science, and mechanics