Computational Chemistry / Theory Consultant

Astera Institute•Emeryville, CA

12d•Hybrid

About The Position

The Astera Institute is seeking a Computational Chemistry / Theory Consultant to provide specialist molecular-simulation and theory for a nanoscale electrostatic actuator — the electrostatics that drive it and the mechanics of its moving parts (charged plate, force transmitter, and amplifying linkage) — and predict the experimental quantities the team measures on the bench. This position reports to Dr. Jeremy Barton (Astera Institute Resident, Project Lead).

Requirements

PhD-level expertise in molecular simulation and interfacial electrostatics (e.g., Poisson–Boltzmann, explicit-ion molecular dynamics, or continuum methods) and in nanomechanics, ideally at bio–inorganic interfaces.
Judgment about which method fits which question — in particular, when coarse-grained structural models are and are not adequate for electrostatics.
Demonstrated experience predicting experimental observables (fluorescence, force spectroscopy, electrostatics) and validating them against measurement.
Availability for a project-based contract engagement from the program's start, working closely with the design and device-physics leads.

Responsibilities

Model electrostatic actuation — how an applied field drives the charged DNA-origami plate through an ionic solution and into a polymer cushion — using appropriate methods (e.g., Poisson–Boltzmann, explicit-ion molecular dynamics, or continuum modeling) to predict the device's voltage–displacement and force behavior.
Model the actuator's nanomechanics: the stiffness and mechanical modes of the plate, force transmitter, and amplifying linkage, and the coupled electro-mechanical response.
Predict single-molecule fluorescence (FRET) distances, expected structural geometry (for cryo-EM comparison), operational force-distance-voltage surfaces, and surface-attachment energetics, giving the experimental team a quantitative theoretical baseline.
Deliver prediction-versus-measurement comparison reports that flag where the device diverges from theory and guide the next design iteration.