Journal Club

(Needs a name)

An open-ended fortnightly meeting to discuss classic and new articles in theoretical chemistry and related topics.

So far, has been meeting every other Monday afternoon in the Amdur Room (6-233).

Each meeting is chaired by one person who selects one or a few articles for the meeting, and begins the discussion with a short presentation lasting approximately one centiday (15 minutes).

Fall 2009

Date	Chair	Papers
10/19	Lee-Ping	Kumar et al., The weighted histogram analysis method for free-energy calculations on biomolecules. I. The method
11/02	Shane	Rathore, Chopra, and de Pablo, Optimal allocation of replicas in parallel tempering simulations
		Earl and Deem, Parallel tempering: Theory, applications, and new perspectives
11/16	Tim	Curutchet et al., Electronic Energy Transfer in Condensed Phase Studied by a Polarizable QM/MM Model
		Cammi and Mennucci, Linear response theory for the polarizable continuum model
11/30	?

Possible papers for discussion

Tewary, Extending the time scale in molecular dynamics simulations: Propagation of ripples in graphene - a way to speed up MD by 8 orders of magnitude. (!)