Talent.com
Quantum Cheminformatics Scientist
Quantum Cheminformatics ScientistPSI Quantum • Palo Alto, CA, US
No longer accepting applications
Quantum Cheminformatics Scientist

Quantum Cheminformatics Scientist

PSI Quantum • Palo Alto, CA, US
16 hours ago
Job type
  • Full-time
Job description

Quantum computing holds the promise of humanity's mastery over the natural world, but only if we can build a real quantum computer. PsiQuantum is on a mission to build the first real, useful quantum computers, capable of delivering the world-changing applications that the technology has long promised. We know that means we will need to build a system with roughly 1 million qubits that supports fault tolerant error correction within a scalable architecture, and a data center footprint.

By harnessing the laws of quantum physics, quantum computers can provide exponential performance increases over today's most powerful supercomputers, offering the potential for extraordinary advances across a broad range of industries including climate, energy, healthcare, pharmaceuticals, finance, agriculture, transportation, materials design, and many more.

PsiQuantum has determined the fastest path to delivering a useful quantum computer, years earlier than the rest of the industry. Our architecture is based on silicon photonics which gives us the ability to produce our components at Tier-1 semiconductor fabs such as GlobalFoundries where we leverage high-volume semiconductor manufacturing processes, the same processes that are already producing billions of chips for telecom and consumer electronics applications. We also benefit from the quantum mechanics reality that photons don't feel heat or electromagnetic interference, allowing us to take advantage of existing cryogenic cooling systems and industry standard fiber connectivity.

In 2024, PsiQuantum announced two government-funded projects to support the build-out of our first Quantum Data Centers and utility-scale quantum computers in Brisbane, Australia and Chicago, Illinois. Both projects are backed by nations that understand quantum computing's potential impact and the need to scale this technology to unlock that potential. And we won't just be building the hardware, but also the fault tolerant quantum applications that will provide industry-transforming results.

Quantum computing is not just an evolution of the decades-old advancement in compute power. It provides the key to mastering our future, not merely discovering it. The potential is enormous, and we have the plan to make it real. Come join us.

There's much more work to be done and we are looking for exceptional talent to join us on this extraordinary journey!

Job Summary :

Are you passionate about revolutionizing chemistry and materials science through quantum computing and advanced machine learning? As a Quantum Cheminformatics Scientist, you will work at the intersection of quantum computing, cheminformatics, and applied machine learning to tackle complex challenges in drug design, catalysis, and energy materials. By combining quantum algorithms with advanced machine learning techniques, you will contribute to the development of innovative methodologies for understanding and predicting molecular and material properties. This role provides an exciting opportunity to shape the future of quantum-driven cheminformatics while working in a highly interdisciplinary and innovative environment.

At PsiQuantum's Quantum Solutions team, you will focus on bridging fault-tolerant quantum computing (FTQC) with cheminformatics and machine learning tools. You will explore quantum-enabled workflows to accelerate the discovery of molecules and materials and can directly impact real-world applications.

Responsibilities :

  • Conduct innovative research and develop workflows that combine quantum computing and ML-driven cheminformatics for molecular modeling and property prediction.
  • Develop and apply machine learning models to accelerate molecular and materials discovery in areas such as drug design, catalysis, and energy materials.
  • Collaborate with quantum algorithm experts to identify areas where quantum computing can have the greatest impact in cheminformatics and materials discovery.
  • Act as a technical lead in collaborative projects, working with internal and external teams to integrate quantum and ML-driven insights into cheminformatics workflows.
  • Serve as a subject matter expert in ML-driven cheminformatics, staying updated on recent advancements in AI, computational chemistry, and quantum computing.
  • Document and communicate research findings through internal reports, peer-reviewed publications, and conference presentations.

Experience / Qualifications :

Required :

  • Ph.D. in cheminformatics, computational chemistry or physics, chemical or materials engineering, or closely related fields, with a strong focus on ML methodologies for molecular modeling or materials discovery, and 0 to 6 years of post-PhD (postdoctoral or industrial) experience.
  • Hands-on experience developing and applying machine learning models to solve real-world problems in cheminformatics, drug design, or materials science.
  • Expertise in Python programming and familiarity with scientific libraries and ML frameworks (e.g., TensorFlow, PyTorch, scikit-learn).
  • Demonstrated ability to develop computational workflows integrating ML and molecular modeling tools.
  • Published peer-reviewed articles in the field of molecular modeling, applied machine learning, or cheminformatics.
  • Preferred :

  • Experience with molecular modeling techniques, including quantum chemistry methods (e.g., DFT, coupled cluster theory, or wavefunction-based methods), molecular dynamics, or machine learning potentials.
  • Familiarity with techniques for property prediction, structure-to-function modeling, or molecular fingerprint generation.
  • Hands-on experience with GPU-accelerated ML workflows or high-performance computing for cheminformatics applications.
  • Exposure to generative AI (e.g., large language models) and its applications in chemistry or materials science.
  • Experience applying quantum computing or hybrid quantum-classical approaches to cheminformatics problems.
  • PsiQuantum provides equal employment opportunity for all applicants and employees. PsiQuantum does not unlawfully discriminate on the basis of race, color, religion, sex (including pregnancy, childbirth, or related medical conditions), gender identity, gender expression, national origin, ancestry, citizenship, age, physical or mental disability, military or veteran status, marital status, domestic partner status, sexual orientation, genetic information, or any other basis protected by applicable laws.

    Note : PsiQuantum will only reach out to you using an official PsiQuantum email address and will never ask you for bank account information as part of the interview process. Please report any suspicious activity to recruiting@psiquantum.com

    We are not accepting unsolicited resumes from employment agencies.

    The range below reflects the minimum and maximum target range for new hire base salary across all US locations. Actual compensation may vary outside of this range and is dependent on various factors including but not limited to a candidate's qualifications including relevant education and training, competencies, experience, geographic location, and business needs. Base pay is only one part of the total compensation package. Full time roles are eligible for equity and benefits. Base pay is subject to change and may be modified in the future.

    For a fully qualified candidate, the expected base pay range is :

    Base Pay Range

    $140,000

    $190,000 USD

    J-18808-Ljbffr

    Create a job alert for this search

    Quantum Scientist • Palo Alto, CA, US

    Related jobs
    Scientist, Nucleic Acid Physical Chemist / DNA Nanotechnology

    Scientist, Nucleic Acid Physical Chemist / DNA Nanotechnology

    Mammoth DS, Inc • South San Francisco, California, United States, 94080
    Full-time
    Atlas Data Storage is revolutionizing the field of information technology by innovating DNA Data Storage solutions.At Atlas, we are developing a massively parallel, high-throughput, semiconductor-b...Show more
    Last updated: 30+ days ago
    Computational Physicist

    Computational Physicist

    Fuse • San Leandro, CA, US
    Permanent
    Fuse is on a mission to accelerate the world’s transition to fusion energy.Our core product is TITAN : an Impedance Matched Marx Generator (IMG). TITAN is the most efficient and powerful (TW) m...Show more
    Last updated: 29 days ago • Promoted
    Research Scientist : 25-04150 (No C2C)

    Research Scientist : 25-04150 (No C2C)

    Akraya Inc • Sunnyvale, California, United States
    Full-time
    Quick Apply
    Primary Skills : Optical Metrology (Expert), Vision Science (Proficient), Python(Advanced), Data Analysis (Expert), Statistical Analysis (Advanced). Duration : 12 Months with possible extemsion.Locati...Show more
    Last updated: 30+ days ago
    Research Engineer / Scientist, Safety Oversight

    Research Engineer / Scientist, Safety Oversight

    OpenAI • San Francisco, CA, United States
    Full-time
    Research Engineer / Scientist, Safety Oversight.The Safety Systems team is responsible for various safety work to ensure our best models can be safely deployed to the real world to benefit the soci...Show more
    Last updated: 14 days ago • Promoted
    Staff Research Scientist, Intern - PhD Quantum Computing - Summer 2026

    Staff Research Scientist, Intern - PhD Quantum Computing - Summer 2026

    Visa • Foster City, CA, US
    Full-time
    Visa is a world leader in payments and technology, with over 259 billion payments transactions flowing safely between consumers, merchants, financial institutions, and government entities in more t...Show more
    Last updated: 30+ days ago • Promoted
    Senior Director of Post-Silicon Validation

    Senior Director of Post-Silicon Validation

    Altera • San Jose, CA, US
    Full-time
    San Jose, California, United States.Altera is a leading provider of FPGAs, SoCs, and semiconductor solutions powering innovation across AI, networking, high-performance computing, and embedded syst...Show more
    Last updated: 6 days ago • Promoted
    Scientist - Synthetic Chemistry

    Scientist - Synthetic Chemistry

    Centrillion Technologies, Inc. • Palo Alto, California, US
    Permanent
    Quick Apply
    DNA sequencing, rapid on-chip sequencing, viral sequencing, genotyping, and synthetic biology.Our innovative technologies and advanced high density DNA chips are transforming the way researchers an...Show more
    Last updated: 30+ days ago
    Senior Computational Chemist

    Senior Computational Chemist

    Tupos Therapeutics • Hayward, CA, US
    Full-time
    Tupos Therapeutics is led by a seasoned team of drug hunters and developers with a proven track record of advancing transformative therapies. Our collective experience includes the discovery and dev...Show more
    Last updated: 30+ days ago • Promoted
    Co-founder and Chief Scientific Officer / CTO / Quantum AI Researcher (PhD)

    Co-founder and Chief Scientific Officer / CTO / Quantum AI Researcher (PhD)

    AiLifePay Inc. • Palo Alto, CA, United States
    Full-time
    Co-founder and Chief Scientific Officer / CTO / Quantum AI Researcher (PhD).Be among the first 25 applicants.Get AI-powered advice on this job and more exclusive features. Equity : 11% (Base) + 4% (Bonus...Show more
    Last updated: 30+ days ago • Promoted
    Computer Vision Scientist (multiple levels / openings)

    Computer Vision Scientist (multiple levels / openings)

    percipient.ai • Santa Clara, CA, US
    Full-time
    Founded in 2017, percipient.Computer Vision, Artificial Intelligence, and Deep Learning to develop cutting-edge tools that bridge the gap between AI and human understanding.We pride ourselves ...Show more
    Last updated: 14 days ago • Promoted
    Principal Research Scientist- Quantum Computing

    Principal Research Scientist- Quantum Computing

    Visa • Foster City, CA, US
    Full-time
    Visa is a world leader in payments and technology, with over 259 billion payments transactions flowing safely between consumers, merchants, financial institutions, and government entities in more t...Show more
    Last updated: 30+ days ago • Promoted
    Principal Applied Scientist, Hardware Silicon and Systems Group

    Principal Applied Scientist, Hardware Silicon and Systems Group

    Amazon • Sunnyvale, CA, United States
    Full-time
    Principal Applied Scientist, Hardware Silicon and Systems Group.Our team leads the development and optimization of on-device ML models for Amazon's hardware products, including audio, vision, and m...Show more
    Last updated: 30+ days ago • Promoted
    Ophthalmology Bioinformatics Core Director

    Ophthalmology Bioinformatics Core Director

    Stanford University • Stanford, California, US
    Full-time
    There is an open position at Stanford University in the Department of Ophthalmology for a bioinformatician with expertise in the analysis of genome-wide datasets related to gene expression.While re...Show more
    Last updated: 9 hours ago • Promoted • New!
    Principal Research Scientist- Quantum Computing

    Principal Research Scientist- Quantum Computing

    Visa Inc. • Foster City, CA, United States
    Full-time
    Principal Research Scientist- Quantum Computing.Visa Research conducts both applied and fundamental research, aiming to push the boundaries of payment-related technologies on a global scale.We part...Show more
    Last updated: 1 day ago • Promoted
    Lead Research Engineer / Scientist, Chemical & Biological Risk

    Lead Research Engineer / Scientist, Chemical & Biological Risk

    OpenAI • San Francisco, CA, United States
    Full-time
    Lead Research Engineer / Scientist, Chemical & Biological Risk.Safety Systems - San Francisco.The Safety Systems team is responsible for various safety work to ensure our best models can be safely ...Show more
    Last updated: 30+ days ago • Promoted
    Quantum Research Scientist, Pathfinding

    Quantum Research Scientist, Pathfinding

    Google Inc. • San Francisco, CA, United States
    Full-time
    Google Mountain View, CA, USA ; San Francisco, CA, USA ; +2 more.X Applicants in the County of Los Angeles : Qualified applications with arrest or conviction records will be considered for employmen...Show more
    Last updated: 2 days ago • Promoted
    Applied Scientist III

    Applied Scientist III

    InMobi • San Mateo, CA, US
    Full-time
    Our advertising platform reaches over 2 billion people across 150+ countries and turns real-time context into business outcomes, delivering results grounded in privacy-first principles.Trusted by 3...Show more
    Last updated: 29 days ago • Promoted
    Research Scientist in the Division of Science (Chemistry) - Dr Ali Trabolsi

    Research Scientist in the Division of Science (Chemistry) - Dr Ali Trabolsi

    New River Community College • San Francisco, CA, United States
    Full-time
    The Trabolsi Research Group at New York University Abu Dhabi invites applications for a research scientist position focused on the development of covalent organic frameworks (COFs)-based adsorbents...Show more
    Last updated: 10 days ago • Promoted