NVIDIA is looking for an architect with extensive experience in molecular dynamics to help us push the boundaries of scaling laws in physical, chemical, and biological sciences. You will work with both internal and external software developers, research scientists, and users to build broadly applicable primitives for the current and next generation of molecular dynamics engines. If you're driven, collaborative, and eager to make an impact at scale, we want to hear from you!


What you'll be doing:
+ Developing and deploying functional forms for modern forcefields. This includes implicit solvent, explicit solvent, and polarizable models. These forms are enabled for both classical and machine-learned interatomic potentials.
+ Prototyping and implementing enhanced sampling methods, including but not limited to: Gibbs sampling, umbrella sampling, REST2, SAMS, lambda dynamics, r-RESPA, and machine-learned samplers.
+ Integrating our libraries with various FEP, MD, and ...