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Up Directory CCL 18.12.15 Seeking talented scientists to build next-generation force field infrastructure
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Date: Sun Dec 16 00:54:02 2018
Subject: 18.12.15 Seeking talented scientists to build next-generation force field infrastructure
The Open Force Field Initiative is seeking talented postdoctoral fellows to work on 
the development of modern toolkits and new methods for building next-generation 
molecular mechanics force fields. These positions are supported by the Open Force 
Field Consortium (, which is administered by
the Molecular Sciences Software Institute (MolSSI, and funded 
by an alliance of pharmaceutical and biotech companies 
( aiming 
to advance the state of force fields for biomolecular simulation and design through 
an open collaborative effort. Postdocs will work closely with other researchers in
the Initiative, multiple academic Initiative PIs, industry Partner scientific 
collaborators, and software scientists in the at MolSSI to develop and apply new 
algorithms and modern open source software infrastructure for building high quality 
biomolecular force fields. We aim to publish frequently and openly: a sample of 
existing publications can be found here (

The Open Force Field Initiative ( is a multi-investigator 
collaboration that aims to build new, quantitatively accurate molecular mechanics 
force fields supported by a modern software infrastructure, built on principles of open 
source, open data, and open science. More about their scientific goals and plans can 
be found in the Open Force Field Initiative Executive Summary and Roadmap 

Desired qualifications:

* Experience with the theory and practice of atomistic biomolecular simulation 
  using molecular mechanics force fields
* Comfortable with the Python programming language
* Exposure to modern open source software development practices 
  (GitHub, unit tests, continuous integration)
* Good multidisciplinary teamwork and communication skills

Bonus qualifications (nice to have, but not required!)

* Experience with force field parameter fitting for small organic molecules
* Experience with quantum chemical calculations in general, and psi4 in particular
* Experience with high-performance computing clusters and/or cloud computing
* Knowledge of organic chemistry
* Experience with the open-source GPU-accelerated molecular simulation 
  Python library OpenMM
* Experience with probabilistic programming languages (e.g. PyMC,
  TensorFlow Probability, Pyro) and/or machine learning frameworks like
  TensorFlow or pytorch
* Experience with cheminformatics or computer-aided drug discovery


Open Force Field Initiative postdocs will generally have flexibility in location, 
with potential sites including the participating investigator laboratories:

* Michael K. Gilson (UCSD, La Jolla, CA)
* John D. Chodera (MSKCC, New York City, NY)
* Lee-Ping Wang (UCD, Davis, CA)
* David L. Mobley (UCI, Irvine, CA)
* Michael R. Shirts (University of Colorado Boulder, Boulder, CO)

Appointment duration

The initial appointment will be for one year, with the potential for extension to 
multiple years to focus on other aspects of force field science and engineering. 
Position is pending final approval of funding.
Interested candidates should email an application to openforcefield _ 
with the subject line "Postdoc application" that includes:

* A cover letter explaining your motivation, background, and qualifications 
  for the position
* A detailed Curriculum Vitae (including a list of publications)
* Contact information of two references
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Modified: Sun Dec 16 05:54:02 2018 GMT
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