Investigator/Senior Investigator/Principal Investigator, Computational Molecular Physics

Location: New York, NY

Silicon Therapeutics, a drug discovery company headquartered in Boston and with Offices in New York City, is looking for chemical physicists/physical chemists to join our computational platform team. Working closely with other platform team members, the candidate will lead and expand a team to develop and implement computational models in molecular physics to enable computation-driven drug discovery. Competitive pay, equity, strong perks, and a fun working environment, along with the opportunity to do cutting edge science to design better medicines, are all good reasons to join us! 


  • Develop and implement models and methods in computational molecular physics, including but not limited to
  • Develop accurate and computationally efficient models of molecular interactions, including quantum chemistry, force field, and machine-learning models, for small molecules, proteins, and nucleic acids
  • Develop multiscale simulation methods that combine force field, quantum chemistry, and machine learning models to enable highly accurate molecular simulations, including binding free energy predictions and protein conformational ensemble predictions 
  • Leverage existing biophysical data and collaborate with experimental groups to design experiments and obtain new data to validate the models and simulation methods 
  • Develop robust protocols for parameterizing classical force fields and validate such protocols against a wide range of experimental data
  • Collaborate with platform teams to deploy the above models and simulation methods in target evaluation and drug discovery projects to enable or substantially accelerate such efforts
  • Work with experimental groups to validate and benchmark the computational models in drug discovery projects

Required Qualifications

• Highly motivated to develop computational methods for discovering better medicines

• M.S. or Ph.D. in computational physics/chemistry, physical chemistry/chemical physics, applied mathematics, or related fields

• Strong record of past research accomplishments

• Extensive past experience in quantum chemistry, force field development, and molecular dynamics simulations

• Extensive programming experience (C/C++ and Python preferred)

• Excellent communication skills and strong team player

Additional Desirable Qualifications

• Experience working with a diverse team on an ambitious project

• Experience in deep learning and numerical optimization 


Silicon Therapeutics provides equal employment opportunities to all employees and applicants for employment and prohibits discrimination and harassment of any type without regard to race, color, religion, age, sex, national origin, disability status, genetics, protected veteran status, sexual orientation, gender identity or expression, or any other characteristic protected by federal, state, or local laws.