Senior MD/MLIP Scientist - High-Impact, Equity

MixMode; San Francisco (CA); On-site; USD 90,000 - 130,000; Full time

Benefits offered by this job

Significant equity

High-impact science

Collaborative and challenging environment

Job summary

MixMode is seeking a highly skilled molecular dynamics expert to lead and contribute to projects involving enhanced sampling and free energy calculations. The ideal candidate holds a PhD in a relevant field and has strong experience with force-field/neural network potential development, deep learning, and scientific programming. The position offers significant equity as an early technical leader in a high-expectation environment, making a tangible impact in the field.

Qualifications

• PhD in chemical physics, chemistry, physics, materials science, or related field.
• Strong background in MD, enhanced sampling, free energy methods, and deep learning.
• Experience with electronic structure methods (DFT) or statistical mechanics.
• Proficient in scientific programming; parallel tools a plus.

Responsibilities

• Lead or contribute to MD, enhanced sampling, and free energy projects.
• Develop and deploy high-accuracy force fields and neural network potentials.
• Build deep learning models for molecular and materials prediction.
• Write efficient scientific software in Python and/or C++.
• Take ideas from theory to scalable implementation.

Skills

Molecular dynamics

Enhanced sampling methods

Free energy calculations

Deep learning

Force-field/neural network potential development

Scientific programming

Education

PhD in chemical physics, chemistry, physics, or materials science

Tools

Python

C++

OpenMM

OpenFE

Job description

MixMode is seeking a highly skilled molecular dynamics expert to lead and contribute to projects involving enhanced sampling and free energy calculations. The ideal candidate holds a PhD in a relevant field and has strong experience with force-field/neural network potential development, deep learning, and scientific programming. The position offers significant equity as an early technical leader in a high-expectation environment, making a tangible impact in the field.