Computational Chemistry – Theory Consultant

Jobtailor; Emeryville (CA); On-site; USD 90,000 - 130,000; Full time

Job summary

Jobtailor in Emeryville, CA, is seeking a researcher to model electrostatic actuation of a DNA-origami platform. You will predict voltage-displacement, force profiles, and the device’s interaction with a polymer cushion, guiding experimental design.

You will quantify nanomechanics, compare predictions to measurements, and deliver rigorous prediction-versus-measurement reports to help iterate device concepts.

Qualifications

• Model electrostatic actuation for a DNA-origami device using appropriate methods.
• Model nanomechanics including stiffness and mechanical modes.
• Predict single-molecule fluorescence distances and structure for cryo-EM comparison.
• Deliver prediction-versus-measurement reports guiding design iterations.

Responsibilities

• Compose reports comparing predictions with measurements.
• Identify divergence and propose design iterations.
• Collaborate with experimental team to align theory and data.

Skills

Molecular Simulation

Interfacial Electrostatics

Nanomechanics Modeling

Experimental Observables

Validation Against Measurements

Education

PhD in a relevant field

Tools

Poisson–Boltzmann Method

Explicit-Ion MD

Continuum Modeling

Electrostatic Prediction

Force Spectroscopy

Single-Molecule FRET

Surface-Attachment Energetics

Voltage–Displacement Prediction

Job description

Requirements

• 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.

Core Competencies

Expertise in molecular simulation and interfacial electrostatics, with a strong focus on predicting experimental observables and validating them against measurements. Proficient in modeling nanomechanics and electro-mechanical responses at bio-inorganic interfaces.

Highest-signal resume keywords

• PhD-Level Expertise in Molecular Simulation
• Interfacial Electrostatics
• Nanomechanics Modeling
• Predicting Experimental Observables
• Validation Against Measurement

ATS Optimization Keywords

Hard Skills

• Poisson–Boltzmann Method
• Explicit-Ion Molecular Dynamics
• Continuum Modeling
• Electrostatic Prediction
• Force Spectroscopy
• Single-Molecule Fluorescence (FRET)
• Quantitative Theoretical Baseline
• Mechanical Modes Analysis
• Voltage–Displacement Prediction
• Surface-Attachment Energetics

Soft Skills

• Judgment in Method Selection
• Collaboration with Design Teams

Industry Keywords

• Bio-Inorganic Interfaces
• Electro-Mechanical Response
• Device Physics
• Experimental Comparison Reports