Recruiting for a Postdoc

We are recruiting for one postdoctoral researcher in computational biophysics with a focus on emerging rare-event sampling and machine learning techniques. This position will involve a collaboration with Arvind Ramathan (Argonne National Lab/ University of Chicago) to integrate the WESTPA [1] software package for executing weighted ensemble rare-event sampling with the DeepDriveMD [2] software suite of deep learning/AI tools to further enhance the efficiency of sampling pathways and kinetics of long-timescale processes. Applications will involve atomic-level examinations of how disordered proteins mediate liquid-liquid phase separation (LLPS) to form membrane-less organelles within cells to create unique environments for key biochemical reactions.

The position provides unique opportunities to develop scalable, AI-enhanced rare-event sampling toolkits across leadership computing facilities spanning both NSF (Texas Advanced Computing Center/TACC) and DOE systems, including Argonne Leadership Computing Facility’s Exascale supercomputers, namely Aurora and Polaris, as well as Oak Ridge Leadership Computing Facility’s Frontier and Summit. The candidate will also have opportunities to leverage our strong interactions with industry, including OpenEye Scientific, Intel, AMD, and NVIDIA.


  • Strong background in chemistry, physics, computer science, or related field
  • Experience in high-performance computing and computational science
  • Familiarity with deep learning / AI techniques is desired (including use of frameworks such as Pytorch, Tensorflow).
  • Proficiency in scientific programming using Python
  • Ability to conduct independent research
  • Strong interpersonal and communication skills

This position starts on August 1, 2022. The position is funded by NSF as part of the planning process for a Leadership-Class Computing Facility (LCCF) at the Texas Advanced Computing Center (TACC) and is for two years. Candidates must successfully defend their PhD by the start of the position and be conferred their PhD by the end of the term in which they are appointed. The PhD may be in chemistry, physics, or related field.

To apply, please include a CV and cover letter explaining your interest in the position. Please also ask three references to email letters of support to Review of applications will begin immediately and continue until the position is filled.

Link For Direct Application

The University of Pittsburgh is an Affirmative Action/Equal Opportunity Employer and values equality of opportunity, human dignity, and diversity. EOE, including disability/vets.