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Up Directory CCL 15.08.03 Berkeley QM/MM Workshop, Berkeley, CA, USA
From: chemistry-request at
To: chemistry-request at
Date: Thu Jun 11 22:26:17 2015
Subject: 15.08.03 Berkeley QM/MM Workshop, Berkeley, CA, USA
Introduction to QM/MM Computational Chemistry Modeling: The Many Roles of Polarization
A Workshop at the University of California, Berkeley, August 3-4, 2015

Quantum mechanics/molecular mechanics (QM/MM) methods are a powerful way to model 
complex chemistry in extended environments, such as in solution or at interfaces. The goal 
of this workshop is to teach attendees about QM/MM methods, so that they will come away 
with solid basic knowledge and first-hand experience in applying QM/MM methods. The role 
of polarization will be particularly emphasized because it is central to QM/MM and connects 
to state-of-the-art polarizable force fields and current QM/MM developments.

The workshop will take place over two full days and will consist of lectures in the mornings 
and interactive tutorial exercises in the afternoons using QM/MM software to solve practical 
problems that illustrate key aspects of setting up, running and interpreting these calculations. 
Attendees are expected to bring their own laptop (Mac, Linux, or Windows). Software will be 

Attendees can be at any age level or career stage, provided that they have completed upper 
division undergraduate physical chemistry (or its equivalent), including basic quantum 
mechanics and statistical mechanics. While more experience than the required minimum 
may be helpful, the workshop is not intended for those already expert in QM/MM.

Thanks to generous sponsorship from the National Science Foundation (NSF) there is no 
registration fee for this workshop. In addition, on-campus housing and meals will be provided 
for the duration of the workshop. A brief personal statement and resume/CV are required of 
all prospective attendees. More details on how to apply can be found on the workshop 
website: Applications will be reviewed until 
Weds., June 24, 2015 and/or the workshop reaches capacity.
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