Workshop on MD simulation software design

Dear colleagues, those of you who are currently developing new code for MD simulations may be interested in this event (see full description below).

Thank you in advance for your interest!

WORKSHOP: "Current trends in molecular dynamics software design"
June 1-2
Science Education and Research Center
Temple University, Philadelphia, PA

Developing and maintaining software for MD simulations requires balancing four objectives: a) ease of use by non-specialists, b) ease of implementation, c) good algorithmic performance, and d) efficient use of new technology. Historically these objectives have not been in conflict, thanks to most users also being experienced programmers, limited variance of physical models, and incremental changes in technology. However, this balance is being challenged by the growing popularity of MD outside its original domain and the ongoing transformation of computing equipment.

This Workshop aims to discuss strategies for MD software development that move towards: 1) accurate and reproducible models for new applications; 2) maintainable multi-physics approaches; 3) improved sampling through an effective use of automation. Emphasis is given to tools that transcend the domains of chemistry, materials science and biology, through invited talks by developers and contributors of leading software packages in each field.

Attendance is open to computational scientists who aim to implement novel methods, or to port them across domain-specific codes.

Current list of speakers
Joshua Anderson (U Michigan)
Peter Eastman (Stanford)
Pascal Merz (U Colorado-Boulder)
Trung Nguyen (Northwestern)
Stefan Paquay (Brandeis)
Jim Phillips (U Illinois Urbana-Champaign)
Steve Plimpton (Sandia National Labs)
Joshua Puckner (U Michigan)
Ellad Tadmor (U Minnesota)

Registration page (May 12th deadline)