Computational Chemistry / Theory Consultant

Position Summary

The Astera Institute is seeking a Computational Chemistry / Theory Consultant to provide specialized molecular-simulation and theory support for a nanoscale electrostatic actuator. This role involves modeling electrostatic actuation, nanomechanics, and predicting experimental quantities such as FRET distances, force-distance-voltage surfaces, and surface-attachment energetics.

Responsibilities

• Model electrostatic actuation using appropriate methods (Poisson–Boltzmann, explicit-ion molecular dynamics, or continuum modeling) to predict the device's voltage–displacement and force behavior.
• Model the actuator's nanomechanics, including 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, providing the experimental team with a quantitative theoretical baseline.
• Deliver prediction-versus-measurement comparison reports that highlight discrepancies between theory and experiment, guiding 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, particularly at bio–inorganic interfaces.
• Judgment on selecting appropriate methods for different questions, especially when deciding between coarse-grained structural models and detailed simulations.
• Demonstrated experience in predicting experimental observables (fluorescence, force spectroscopy, electrostatics) and validating them against measurements.
• Availability for a project-based contract engagement starting from the program's inception, collaborating closely with the design and device-physics leads.

Location

This position is hybrid, based at our office in Emeryville, CA. Some travel may be required for in-person collaboration and work.

Cultural Alignment

• Surprising problem-solver: you enjoy discovering innovative solutions to complex problems and see opportunities where others see challenges.
• Bias to action: you are proactive, launching experiments and iterating quickly, energized by tackling new challenges.
• High standards, internally driven: you strive for excellence and take ownership of your work, setting high personal and professional standards.
• Operate with integrity: you maintain the highest levels of ethical conduct, treating all stakeholders with respect and fairness.
• Embrace modern tools: Astera is committed to leveraging cutting-edge technologies to enhance productivity and quality of work.

Compensation

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