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Up Directory CCL 18.05.01 Joint OpenFF-XtalPi Distinguished Postdoctoral Fellowship, Boston, US / Shenzhen, CN
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Date: Tue May 1 19:16:30 2018
Subject: 18.05.01 Joint OpenFF-XtalPi Distinguished Postdoctoral Fellowship, Boston, US / Shenzhen, CN
The Open Force Field Consortium (OpenFF, and XtalPi, Inc. 
( seeks a Distinguished Postdoctoral Fellow to perform cutting-edge 
research in a unique academic-industrial joint effort. 

OpenFF is an academic collaboration (based at UC Irvine / UC Davis / UC San Diego 
/ Univ. Colorado Boulder / Sloan Kettering Institute in New York) that seeks to develop 
next-generation molecular mechanics force fields and associated parameterization 
software and data infrastructure. XtalPi is a pharmaceutical technology company 
founded in 2014 that is introducing revolutionary advances in drug research and 
development, and has established strategic partnerships with several major 
pharmaceutical companies and recently completed a Series B funding round with 
Sequoia, Tencent, and Google.

The Postdoctoral Fellow will work with OpenFF and XtalPi to improve the accuracy of 
molecular mechanics force fields for predicting crystal structures and binding free 
energies. The work spans the disciplines of force field development/validation and 
Bayesian inference, and seeks to answer the fundamental scientific questions: 

1) What regions of chemical space are critical failures for current force fields? 
2) What are the fundamental limitations of (a) current functional forms and 
(b) parameterization methods?

The position spans a two-year project period that involves a gradual transition from 
the OpenFF side to the XtalPi side. 

In Year 1, the Fellow will be hosted for ~9 months in one of the academic groups 
(to be determined by the OpenFF PIs, XtalPi, and the Fellow) and ~3 months at 
XtalPi in Shenzhen, China or Boston, MA. 

In Year 2, the time division will be 3-6 months academic / 6-9 months XtalPi. 

The Fellow will be considered for full-time employment at XtalPi after Year 2.

We seek a highly talented candidate for this position with the following skills:
A Ph.D. in physics, chemistry, chemical engineering or a related field is required;
Significant experience with molecular simulations is desired;
Solid background in statistical mechanics and programming is desired;
Good understanding of force field formats and software representations is desired;
Good cheminformatics experience/understanding is desired;
Good understanding of space groups for crystal structure operations is desired;
Experience with machine learning and/or Bayesian inference is desired.

The position includes a competitive salary and benefits, as well as housing 
arrangements to defray the costs of living and working in two geographical locations.
To apply, send a cover letter including a description of research interests, CV or resume, 
and contact information for at least three references including name, institution, and 
email address to leeping+/ and/or szhr+/ to be distributed 
to OpenFF PIs and XtalPi scientists. 

Applications should be received by June 1, 2018. The start date is planned for Fall 2018.
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