Computational Chemistry

Computational Chemistry at astera.

About the role Astera is a private foundation focused on accelerating scientific and technological progress by operating research projects with the speed and structure of a startup. We are seeking a consultant to provide theoretical modeling and molecular simulation expertise for a nanoscale electrostatic actuator project.

Key facts

• Location: Hybrid (Emeryville, CA)
• Engagement: Contract
• Compensation: $150 - $200 per hour
• Team: Foundation (reporting to Dr. Jeremy Barton)

What you'll do

• Perform electrostatic actuation modeling to understand how applied fields drive DNA-origami plates through ionic solutions into polymer cushions.
• Calculate voltage-displacement and force behavior using methods such as Poisson-Boltzmann, explicit-ion molecular dynamics, or continuum modeling.
• Analyze nanomechanics, including the stiffness and mechanical modes of the charged plate, force transmitter, and amplifying linkage.
• Generate quantitative predictions for single-molecule fluorescence distances, structural geometry for cryo-EM, and surface-attachment energetics.
• Produce reports comparing theoretical predictions to experimental measurements to inform future design iterations.

Requirements

• PhD in a relevant field with deep expertise in molecular simulation, interfacial electrostatics, and nanomechanics.
• Ability to determine the appropriate modeling method for specific problems, including distinguishing when coarse-grained structural models are sufficient.
• Proven track record of predicting experimental observables and validating those results against physical measurements.
• Capacity to work closely with design and device-physics leads on a project-based contract.

Skills & tools

• Poisson-Boltzmann modeling
• Explicit-ion molecular dynamics
• Continuum modeling
• Nanomechanics
• DNA-origami simulation
• Single-molecule fluorescence (FRET) analysis
• Cryo-EM structural prediction

Practical notes

This is a hybrid role based in Emeryville, CA, with occasional travel required for in-person collaboration. Candidates should demonstrate a bias toward action, high internal standards, and the ability to solve complex problems with minimal oversight.