[gmx-developers] Workshop on MD simulation software design
giacomo.fiorin at gmail.com
Wed Mar 22 02:20:20 CET 2017
Dear Erik, thanks for the correction and I apologize for the off-topic
This was a borderline case, but I will respect the intended use of the
GROMACS mailing lists in the future.
On Mar 21, 2017 6:37 PM, "Erik Lindahl" <erik.lindahl at gmail.com> wrote:
> HI Giacomo (and others who might get the same idea),
> Please do *NOT* use the Gromacs mailing lists for general announcements
> about meetings or positions, and in particular not the developers list.
> The only exception we allow to this is when there is a specific GROMACS
> connection (such as hiring somebody to work on GROMACS, or arranging a
> GROMACS meeting), and in that case it should be synced with us first.
> On Tue, Mar 21, 2017 at 11:23 PM, Giacomo Fiorin <giacomo.fiorin at gmail.com
> > wrote:
>> Dear colleagues: some of you, particularly those who are US-based, may be
>> interested in this event (see full description below).
>> Thank you in advance for your consideration!
>> *"Current trends in molecular dynamics software design"*
>> *June 1-2Science Education and Research CenterTemple 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)*
>> Gromacs Developers mailing list
>> * Please search the archive at http://www.gromacs.org/Support
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> Erik Lindahl <erik.lindahl at gmail.com>
> Professor of Biophysics, Dept. Biochemistry & Biophysics, Stockholm
> Science for Life Laboratory, Box 1031, 17121 Solna, Sweden
> Gromacs Developers mailing list
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