Top 16 quantum communication Large Language Models quantum machine learning Jobs

Computational Chemist
Topos Bio —San Francisco, CA
- Full-time
- Data analysis skills
- Doctor of Philosophy
- Fingerprint clearance
Quick Apply
ARLIS Artificial Intelligence Research Professional
University of Maryland —College Park, MD
- $58,656 - $240,082 a year
- Background check
- Computer science
- Computer Science
Software Engineer
New York University —New York, NY
- $100,000 - $250,000 a year
- Full-time
- Computer Science
- Bachelor of Science
- Mid-level
Emerging Technology Experts
CRDF Global —Arlington, VA
- Senior level
- Commercial
- Employee assistance program
Machine Learning Application Engineer
University of Maryland —College Park, MD
- $80,000 - $110,000 a year
- Background check
- Computer science
- Computer Science
Principal Computational Scientist, Discovery Chemistry
Genentech —San Francisco, CA
- $144,900 - $269,100 a year
- Online Application
- Computer Science
- Doctor of Philosophy
- Organizational skills
14d
Machine Learning Engineer - Mid
Silverthorne Advisory Group LLC —Tampa, FL
- Full-time
- Mid-level
- 3 years
- Java
- Health insurance
- Dental insurance
Quick Apply
Senior Manager, Data Science - Quantum Computing Research
Information Technology Senior Management Forum —McLean, VA
- $229,900 - $262,400 a year
- Email
- Computer Science
- Bachelor's degree
- Doctor of Philosophy
- Health insurance
13d
Senior Manager, Data Science - Quantum Computing Research (Remote-Eligible)
Capital One —McLean, VA
- Email
- Remote
- Computer Science
- Bachelor's degree
- Doctor of Philosophy
- Health insurance
Applied Research Mathematician / Quantum Computing
National Security Agency —Fort Meade, MD
- $105,262 - $197,200 a year
- 8 hour shift
- Computer science
- Doctoral degree
- Computer Science
13d
Director of AI Platforms, Texas Institute for Electronics
University of Texas at Austin —Austin, TX
- Full-time
- Computer Science
- Bachelor of Science
- System design
- Paid holidays
- Disability insurance
Senior Software Engineer (Measurement and Bring-up)
Microsoft —Redmond, WA
- $119,800 - $261,000 a year
- Full-time
- Background check
- Azure
- Doctoral degree

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Computational Chemist
Topos Bio —San Francisco, CA
PhD in Computational Biophysics, Computational Chemistry, or a related field. Communicate technical nuances to cross-functional teams, fostering a shared…
Quick Apply
Software Engineer
New York University —New York, NY
B.S., M.S. or Ph.D. in machine learning, computer science, engineering or related technical discipline. Knowledge of software engineering practices for working…
$100,000 - $250,000 a year

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Computational Chemist

Topos Bio
San Francisco, CA

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Job Details

Full-time

Qualifications

Workflow management (operations management method)
Software coding
Computational modeling
Programming languages
Doctor of Philosophy
Simulation tools

Full Job Description

Topos Bio

At Topos Bio, we're pioneering drug discovery for intrinsically disordered proteins—targets that have eluded conventional approaches in neurodegeneration, oncology, and cardiometabolic disease.

We’re seeking a Computational Chemist to help generate novel molecules for a variety of targets and collaborate closely with AI researchers and experimental scientists.

What you will do

Develop scalable workflows to generate and screen thousands of potential drug candidates
Design and run molecular dynamics simulations, applying enhanced sampling methods to characterize protein-ligand binding and conformational dynamics

Engineer and optimize data pipelines that handle large-scale molecular simulations and structure-based predictions
Build and optimize cheminformatics pipelines for compound filtering, property prediction, fingerprint-based similarity search, and chemical space analysis
Collaborate with AI researchers to incorporate simulation data into model training and inference pipelines
Bridge scientific rigor with practical results, ensuring computational protocols are both accurate and efficient
Communicate technical nuances to cross-functional teams, fostering a shared understanding of capabilities and limitations
Stay up to date with the latest research and breakthroughs in computational chemistry, generative models, and molecular simulation
Lead external scientific presentations to pharmaceutical partners; Communicate the team's computational approaches for both technical audiences and business partners

What we are looking for

PhD in Computational Biophysics, Computational Chemistry, or a related field
Experience with molecular modeling, simulation, and generative drug design
Proficiency with common computational biophysics software (e.g. AMBER, GROMACS, OpenMM, PLUMED, Schrödinger, OpenEye)
Strong background in cheminformatics: molecular fingerprints, QSAR/QSPR, property prediction, scaffold analysis, cheminformatics libraries (e.g., RDKit, OpenBabel)
Expert coding in at least one language (Python preferred)
Familiarity with HPC cluster or cloud computing environments, containerization, and workflow orchestration
Strong communication skills, with the ability to present complex ideas in clear terms

Preferred

Experience integrating machine learning techniques for molecular generation
Background in quantum chemistry methods (DFT, ab initio) and its application to biomolecular systems
Exposure to early-stage drug discovery programs, from target identification to lead optimization

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Refine Your Search

quantum communication Large Language Models quantum machine learning jobs

Computational Chemist

ARLIS Artificial Intelligence Research Professional

Software Engineer

Emerging Technology Experts

Machine Learning Application Engineer

Principal Computational Scientist, Discovery Chemistry

Machine Learning Engineer - Mid

Senior Manager, Data Science - Quantum Computing Research

Senior Manager, Data Science - Quantum Computing Research (Remote-Eligible)

Applied Research Mathematician / Quantum Computing

Director of AI Platforms, Texas Institute for Electronics

Senior Software Engineer (Measurement and Bring-up)

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