Job Description

We are seeking a talented theoretical physicist/biophysicist to join the force field development team and develop new models to describe inter- and intramolecular interaction of different molecules (such as proteins with drug-like molecules).

The candidate will perform / support original research and will have an opportunity to enhance his/her publication record.

Location: Berkeley CA, Pittsburgh PA. (Remote possible for the right candidate.​)

Job Type: Full Time​

Status: Open until filled

Qualifications

• Newly qualified PhD or a postdoc with expertise in theoretical physics / biophysics / quantum chemistry, or with equivalent experience and expertise

• Experience in developing Molecular Force-fields of any type a huge plus

• Deep understanding of forces which govern the quantum world and interaction between molecules (e.g. London force, stacking interaction, cation-p interaction, etc.)

• Extensive knowledge of organic chemistry and drug-discovery chemistry is a plus

• Understanding and appreciation of the difference between various quantum chemistry techniques: HF, MP2, CCSD(T), DFT, SAPT, etc.

• Experience with calculation of molecular and atomic properties with quantum chemistry software such as Gaussian, GAMESS, MolPro, PSI, etc.

• Experience using molecular dynamics (MD) packages e.g. GROMACS, NAMD, etc. to simulate molecular systems ( protein complexes, homogeneous and heterogeneous liquids, solvation, etc.) highly desirable.

• Software development experience and fluency in C/C++ a plus.

• UNIX/Linux fluency and programming in Matlab highly desirable.

Exceptions may be (and have been) made for candidates with extraordinary level of ability and a history of original and unconventional thinking.

Job Descriptions

The opening is in the Simulations group. The prospective member will be responsible for running and analysing molecular simulations. In addition to this, commensurate with experience, desire and abilities, the candidate may participate in the following:​

• Write scripts and software to automate workflows

• Perform original research on methods that accelerate Molecular Dynamics

• Write and publish scientific papers

• Communicate and work with medicinal chemistry campaigns

The job may be considered a postdoctoral appointment as the candidate is likely to enhance his/her publication record.

Location: Berkeley CA (Remote possible for the right candidate.​)

Job Type: Full Time​

Status: Open until filled

Qualifications:

• Experience and expertise in using Molecular Dynamics packages (Gromacs, NAMD, LAMMPS, Desmond, etc.)

• Experience in performing molecular simulations of biological systems. Specifically experience in simulating ligand-protein interactions a plus

• Experience in Computational Chemistry tools such as docking, SAR analysis, Schrodinger suite, a plus

• Deep understanding of enhanced sampling techniques a big plus

• Preference for candidates who either have or are capable of authoring major Molecular Dynamics algorithms and protocols

We are specifically looking for computational chemists and (bio)physicists, but will consider any candidate with outstanding ability, related expertise, and a history of original and unconventional thinking.