Computational Chemistry / Theory Consultant

astera; Emeryville (CA); Hybrid; USD 120,000 - 170,000; Full time

Job summary

Astera Institute is seeking a Computational Chemistry/Theory Consultant to provide specialist molecular-simulation and theory for a nanoscale electrostatic actuator, predicting voltage-displacement and force, and nanomechanics of the moving parts. This is a contract position reporting to the project lead.

The role requires PhD-level expertise in molecular simulation and interfacial electrostatics, with experience predicting experimental observables and delivering decision-ready predictions for

Qualifications

• PhD-level expertise in molecular simulation and interfacial electrostatics, and nanomechanics at bio-inorganic interfaces.
• Judgment on method selection for questions, especially when coarse-grained models are or aren’t adequate for electrostatics.
• Experience predicting experimental observables (fluorescence, force spectroscopy, electrostatics) and validating against measurements.
• Availability for a project-based contract engagement, collaborating with design and device-physics leads.

Responsibilities

• Model electrostatic actuation and predict voltage-displacement and force behavior in the nanoscale device.
• Model the actuator's nanomechanics and coupled electro-mechanical response.
• Predict single-molecule fluorescence distances and geometry for cryo-EM comparison and surface-energy landscapes.
• Deliver prediction-versus-measurement reports guiding design iterations.

Skills

Molecular simulation

Interfacial electrostatics

Nanomechanics

Experimental observables prediction

Education

PhD in molecular simulation or electrostatics

Tools

Poisson–Boltzmann

Explicit-ion MD

Continuum modeling

Job description

About Astera

Astera is a private foundation on a mission to steer science and technology toward an abundant future. We believe the coming years will bring an era of unprecedented scientific and technological advancement as exponential progress in AI converges with central advances in other fields to dramatically accelerate innovation. This inflection point provides an unparalleled opportunity to fundamentally rethink the institutions, systems, and tools that drive scientific progress.

Unlike traditional non-profit research organizations, projects supported by Astera operate like high-velocity startups, allowing us to focus on ambitious goals, match structure to problem, and attract strong technical talent and leadership. You can read more about our mission, vision, and programming here.

Position Summary

The Astera Institute is seeking a Computational Chemistry / Theory Consultant to provide the 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). This is a contract position.

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.

Qualifications and Experience

• 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.

Location

This position is hybrid at our office in Emeryville, CA. Some travel may be required from time‑to‑time for in‑person collaboration and work.

Compensation

This is a contract engagement. Compensation is a competitive contract rate, commensurate with experience and the agreed scope and duration of work.

Cultural Alignment

• Surprising problem‑solver – you love finding unexpected solutions to problems we don't even know we have, and see options where others only see constraints.

• Bias to action – you launch and iterate on thoughtful experiments rather than waiting for perfect plans, and you're energized by novel problems.

• High standards, internally driven – you hold yourself to the bar of building world‑class public goods without benchmarking against others.

• Operate with the highest levels of integrity, judgment, and stewardship – you treat residents, peers, and vendors with genuine respect for their time and contributions.

• Embrace the tools that define great work today – Astera is building for an AI‑driven future and equips the team accordingly; we see these as genuine force multipliers, not optional extras.