Senior/Principal Computational Chemistry Research Scientist - Free Energy Methods

About Genesis Molecular AIGenesis Molecular AI integrates advanced molecular machine learning with fundamental physics to uncover innovative small molecule therapies for critical diseases. Our state-of-the-art molecular AI platform, GEMS, employs generative models alongside high-throughput molecular simulations to efficiently explore chemical space and prior…

Charter:Join us as a pioneering member of our team dedicated to revolutionizing the field of toxicity testing through the development of precise AI systems that replace traditional lab and animal experiments.What We Seek:We are on the lookout for extraordinary individuals who not only inspire us but also challenge us to elevate our performance. Ideal candidates will infuse the team with energy and a sense of purpose, demonstrating a keen understanding of what truly matters. A sense of urgency, proactive problem-solving skills, and an insatiable curiosity about all aspects of Axiom are essential. We value technical excellence and a deep commitment to one's craft. Those who are driven by the thrill of tackling complex scientific challenges will find a rewarding environment here, as we strive to build a transformative company together.Your Responsibilities:Lead the creation of AI models to predict human clinical outcomes, analyzing performance to identify both successful and less effective applications.Work alongside machine learning researchers to develop advanced models for human clinical predictions.Oversee model usage, ensuring clarity, refinement, and continual enhancement.Clean, curate, and process extensive chemistry datasets encompassing a variety of unique compounds for model evaluation and training.Collaborate with leading drug hunters at Pfizer, Takeda, Gilead, Merck, and others to interpret model predictions and streamline decision-making processes.Devise innovative strategies to intelligently expand our experimental and molecular datasets, guided by data insights, ML performance, and real-world applications.Influence ongoing drug programs and contribute to reshaping the methodologies of top pharmaceutical teams in developing safe and effective medications.Help refine Axiom’s product offerings based on customer feedback and insights gained through engagement with leading drug hunters.Desired Expertise:Possession of an advanced degree in chemistry, cheminformatics, or computational chemistry, or relevant industry experience in drug discovery.

About Marathon FusionAt Marathon Fusion, we are pioneering the engineering technologies essential for transitioning fusion from experimental stages to operational power plants. While many in the industry concentrate on developing new fusion devices, we are dedicated to creating practical systems that facilitate the deployment of fusion energy at a scale relevant to combat climate change.Our focus includes the development of critical fuel cycle technologies and plant-level systems that support stable isotope production, fuel cycle closure, and advanced blanket systems aimed at enabling both energy generation and the production of valuable co-products.Established in 2023, Marathon Fusion is committed to constructing the components and systems that will render fusion a practical, abundant, and reliable energy source for the 21st century.Culture at Marathon FusionWe cultivate a startup environment that demands focus, adaptability, and prioritization in a rapidly evolving landscape. Success in this setting requires exemplary proactive communication across various roles and backgrounds, the ability to foster and maintain trust among team members, and a commitment to continuous learning and skill development. We emphasize the importance of self-direction in each team member.

At Merge Labs, we are at the forefront of research, dedicated to uniting biological and artificial intelligence to enhance human capability, autonomy, and overall experience. Our innovative approach focuses on developing revolutionary brain-computer interfaces that offer high-bandwidth interaction with the brain, seamlessly integrate advanced AI, and are designed to be safe and accessible for everyone.About the Team:Our Bio team is responsible for designing, constructing, and characterizing the biotechnologies that underpin the next generation of brain-computer interfaces. By integrating molecular engineering, synthetic biology, neuroscience, and cutting-edge physical methods such as ultrasound, we aim to establish less invasive, high-bandwidth connections with neurons. The Bio team is dedicated to developing our core molecular technologies, validating their performance both in vitro and in vivo, and showcasing their advanced capabilities in animal models. We create custom experimental setups and pipelines while collaborating closely with engineers and data scientists to tackle some of the most challenging problems in biotechnology.About the Role:We are seeking a Senior/Principal Machine Learning Biophysicist to spearhead the creation of scalable molecular dynamics pipelines, integrating physics-based models with machine learning frameworks. You will build the molecular modeling foundations of the company from first principles, establishing tools and workflows for simulating, analyzing, and interpreting biomolecular dynamics to elucidate function relationships. Over time, your contributions will help translate these frameworks into predictive models that expedite molecular engineering, guide experimental campaigns, and facilitate the discovery of highly functional molecules.Key Responsibilities:Develop the scientific and engineering framework for protein structure modeling and molecular dynamics, along with integrations into downstream ML frameworks.Collaborate with wet-lab scientists to establish realistic optimization objectives and encode domain-specific priors and constraints.Prototype modeling frameworks utilizing internal and public datasets; benchmark and validate performance.Make complex analyses accessible to non-domain experts through democratization of first-principles analysis.Lead the development of ML frameworks that explicitly incorporate first-principles priors.Stay abreast of the latest advancements in deep learning and molecular dynamics.

Role overview The Principal Research Scientist – Scaling at Databricks leads research projects that advance how the company’s data analytics platform handles large workloads. This San Francisco-based role focuses on designing and improving algorithms that enable efficient large-scale data processing and machine learning. Collaboration is central, with regular work alongside engineering, product, and research teams. What you will do Lead research to develop algorithms that scale for data analytics applications. Work with colleagues across engineering, product, and research to strengthen machine learning capabilities. Use deep expertise to shape the direction and architecture of the Databricks platform. Drive new ideas and solutions that influence the future of data science and analytics at Databricks. Location This role is based in San Francisco, California.

At Olema Oncology, we are unwavering in our commitment to advancing innovative treatments for breast cancer and beyond. Our flagship candidate, palazestrant (OP-1250), is a groundbreaking complete estrogen receptor antagonist (CERAN) currently being developed for metastatic breast cancer. With the potential to be a market leader, it is designed for use both as a monotherapy and in combination therapies for ER+/HER2- metastatic breast cancer. Additionally, our next candidate, OP-3136, is a powerful KAT6 inhibitor that aims to set a new standard in the field.Our success is fueled by the collaborative spirit that drives our team to support, inspire, and challenge each other. At Olema, we prioritize our people, ensuring that our endeavors yield unparalleled results. If you are eager to be part of a transformative journey, join us as we strive to make a significant difference for our patients, your career, and the future of medicine.You can view our latest corporate deck and other presentations here.About the Role: Senior Scientist, Medicinal ChemistryAs the Senior Scientist in Medicinal Chemistry, you will report directly to the Associate Director of Medicinal Chemistry and play a pivotal role in designing and synthesizing novel small molecules to support our hit-to-lead and lead optimization initiatives. You will collaborate closely with our internal medicinal chemistry team and oversee external resources involved in the development of new small molecule drug candidates. You may also lead the organic chemistry efforts within multidisciplinary project teams, advancing drug discovery projects from inception to clinical trials to fulfill our mission of delivering innovative medicines to cancer patients.This position is based in our San Francisco Bay Area Laboratory and requires approximately 5% travel.Your core responsibilities will include:Executing hit-to-lead and lead optimization by designing and synthesizing novel small molecules.Guiding external chemistry resources through the design of synthetic strategies, target prioritization, and innovative solutions to complex chemistry challenges.Advancing novel small molecule hits and lead compounds into clinical candidates by utilizing structure-based drug design and multi-parameter lead optimization.

Merge Labs is a pioneering research laboratory dedicated to merging biological and artificial intelligence to enhance human potential, autonomy, and experiences. Our mission is to advance this integration through the creation of innovative brain-computer interfaces that communicate with the brain at high bandwidth, seamlessly incorporate cutting-edge AI technology, and are designed to be safe and accessible for all users.About the TeamOur Bio team is at the forefront of designing, constructing, and evaluating the biotechnologies that underpin the next generation of brain-computer interfaces. We leverage molecular engineering, synthetic biology, neuroscience, and advanced physical methods like ultrasound to establish minimally invasive, high-bandwidth connections with neurons. The Bio team develops core molecular technologies, rigorously tests their performance both in vitro and in vivo, and showcases their advanced functionalities in animal models. We create custom experimental setups and pipelines while collaborating closely with engineers and data scientists, fostering interdisciplinary innovation to tackle complex challenges in biotechnology.About the RoleAs an Imaging Research Associate, you will play a crucial role in both the execution and innovation of our research initiatives. Your responsibilities will include the preparation of high-quality biological samples and the management of advanced microscopy systems, ensuring the delivery of consistent and well-characterized imaging data. This role demands technical precision, a systems-oriented mindset, and meticulous attention to reproducibility, transforming complex experimental protocols into reliable workflows that drive discovery across the organization.As you gain expertise with these systems, you will have opportunities to contribute to methodological innovations in partnership with functional team leaders. This may involve designing and validating new imaging protocols, exploring unique sample preparation techniques, and assisting in the development of novel hardware configurations tailored to Merge’s technologies. Ultimately, this position allows for significant innovation in imaging methodologies and technologies, broadening the experimental capabilities of the organization.

Join AbbVie as a Principal Research Scientist I in our Biologics Screening team within Discovery Biotherapeutics. In this pivotal role, you will lead cutting-edge research initiatives focused on biologics screening methodologies that drive our biotherapeutic development pipeline. You will collaborate with a multidisciplinary team of scientists to innovate and optimize screening strategies, ensuring the identification of high-potential therapeutic candidates.

Inductive Bio is a pioneering AI medicinal chemistry partner dedicated to revolutionizing drug discovery. We create innovative virtual labs that empower drug discovery teams to make informed decisions more efficiently throughout the entire DMTA cycle. Our advanced platform features Beacon-1 ADMET prediction models, human dose projection tools, and Indy, an AI-driven medicinal chemistry assistant. In collaboration with Enamine, we provide library synthesis and direct-to-dose testing, seamlessly bridging the gap between computational design and experimental validation. Together, we fuel numerous small molecule and beyond-rule-of-five initiatives for our biotech and pharmaceutical partners.Beacon-1 has consistently excelled, securing 1st place in both the 2025 Polaris and 2026 OpenADMET-ExpansionRx blind competitions, surpassing industry giants like Merck & Co and NVIDIA, as well as EMD Serono. Our efforts have garnered $30M in funding from notable investors such as Obvious Ventures, a16z Bio + Health, and Lux Capital, in addition to being awarded $21M from the ARPA-H CATALYST program to advance next-generation toxicity models.The RoleWe are in search of an experienced computational or medicinal chemist to join our dynamic Product Science team as a Product Scientist. In this pivotal role, you will be the primary scientific liaison for partner projects, leveraging your expertise in medicinal chemistry, computational chemistry, and DMPK to tackle complex molecular optimization challenges with an emphasis on dose-centric solutions. You will engage with a diverse array of small molecule modalities, therapeutic areas, and modeling obstacles.As a thought leader in the evolution of Inductive's platform, you will contribute to the enhancement of our predictive models and dose projection tools, as well as Indy, our AI medicinal chemistry assistant, drawing from your own experiences and insights gained from real-world partner programs. We seek an individual whose instincts regarding small molecule optimization are honed through extensive hands-on experience, and who is eager to utilize these instincts to shape products that empower drug discovery teams.Your Responsibilities:Partner-Facing ScienceCultivate and manage the scientific relationships with partner project teams across various modalities, including reversible and covalent small molecules, macrocycles, molecular glues, and heterobifunctionals.Organize and clarify complex program data. Analyze structure-activity relationships (SAR), discern the insights provided by the data, and proactively address inconsistencies before they lead to detrimental decisions.Steer medicinal chemistry strategies: determine what to synthesize, what to test, how to prioritize compounds for further development, and where to allocate synthetic resources. Identify potential liabilities early in the process and assist partners in constructing risk mitigation plans.

Join Merge Labs, a pioneering research facility dedicated to merging biological and artificial intelligence to enhance human capabilities, agency, and experience. We aim to achieve this by crafting innovative brain-computer interfaces that communicate with the brain at high bandwidth, seamlessly integrate with cutting-edge AI, and prioritize safety and accessibility for all users.About the Team:At Merge Labs, we are on a mission to revolutionize brain-computer interfaces by leveraging advancements in synthetic biology, neuroscience, AI, and non-invasive imaging technologies. Our cross-functional data science team is situated at the convergence of computational modeling, neuroscience, and biomolecular engineering. This collaborative unit works closely with wet-lab scientists, automation specialists, and data engineers to develop machine learning frameworks that facilitate rapid molecule discovery and device enhancement.About the Role:We are seeking a talented Senior / Principal ML Scientist to architect and scale Bayesian optimization and reinforcement learning frameworks that guide molecular engineering initiatives through iterative design-build-test-learn (DBTL) cycles. You will start with a fresh approach to construct the company's closed-loop optimization infrastructure, establishing the data and modeling foundations that link experiments with these ML frameworks. Over time, you will transition prototypes into operational pipelines, significantly enhancing experimental throughput and discovery success across various biomolecular and neuroengineering sectors.Key Responsibilities:Develop the scientific and engineering framework for active learning and closed-loop optimization, encompassing data ingestion, ML modeling, and library design.Collaborate with wet-lab scientists to establish feasible optimization objectives while incorporating domain-specific priors and constraints.Create prototypes for representation learning and acquisition strategies utilizing both internal and public datasets; benchmark and validate the performance of models.Integrate machine learning models with experimental data streams, making them accessible to non-domain experts for broader utilization.Extend machine learning frameworks to accommodate multi-objective or constrained optimization challenges.Stay abreast of the latest advancements in Bayesian optimization, active learning, and reinforcement learning, and prototype innovative algorithms to enhance the company's capabilities.

Join the Method TeamAt Method, we have revolutionized the way individuals connect with their financial accounts. By integrating real-time liability connectivity and instant payment execution, our API simplifies the connection between financial accounts and the applications people rely on. With over 45 million users and more than 350 million liability accounts connected without the need for credentials, we have processed over $2.5 billion in payments, saving our users millions in interest. Currently, one in every three credit cards in the United States operates within the Method ecosystem, with leading financial institutions such as SoFi, Bilt, Cleo, Sezzle, Figure, and Aven leveraging our APIs to create exceptional user experiences.Our dedicated team of over 50 professionals is spread across offices in Austin, San Francisco, New York City, and Washington D.C. We are eager to maintain our growth trajectory while collaborating with our esteemed investors and advisors from Andreessen Horowitz, Emergence Capital, Y Combinator, Avra, and Ardent. For more insights about our journey, visit our blog!Your Role and ImpactWe are seeking a Solutions Consultant who will enhance Method's technical sales and expansion initiatives. In this role, you will engage in pre-sales activities, collaborating with customers from the outset to facilitate technical discovery, solution development, and integration planning, thereby accelerating the path to a "technical yes" for prospects and existing clients.As an expert in this field, you will possess a robust technical foundation, particularly in APIs, complemented by strong analytical skills and a consultative approach to aligning customer challenges with Method's innovative product offerings and future roadmap. Your mission is to streamline the purchasing and expansion processes with Method, making them more efficient and repeatable.Your ResponsibilitiesEngage early in key deals (typically during the first one to two calls) as the technical liaison to the Account Executive; lead technical discovery and solution development.Convert customer architecture, limitations, and objectives into a clear proposed approach, detailing integration plans, sequencing, risks, and trade-offs.Enhance technical sales momentum by streamlining the cycle from discovery through solution development and terms negotiation, ensuring clear technical alignment and actionable next steps.Occasionally assist in post-sale solution development and expansion: engage in customer roadmap discussions, propose new use cases, and promote adoption.Develop solutions playbooks for discovery and reference architecture to embed a consistent solutions approach throughout pre and post-sales processes.

Join the Center for AI Safety (CAIS), a premier research and advocacy organization dedicated to addressing the complex societal challenges posed by artificial intelligence (AI). Our mission focuses on mitigating large-scale risks associated with AI through groundbreaking technical research, strategic initiatives, and proactive policy engagement, in collaboration with our sister organization, the Center for AI Safety Action Fund. As a Senior Research Scientist at CAIS, you will spearhead and execute transformative research aimed at enhancing the safety and reliability of advanced AI systems. You will take ownership of significant open challenges, driving them to successful publication. We seek individuals who set a high standard for research excellence and contribute innovative ideas to elevate our collective understanding. Your role will involve designing and conducting experiments on large language models, developing the necessary tools for large-scale model training and evaluation, and translating findings into publishable research. Close collaboration with CAIS researchers and external academic and industry partners will be essential, utilizing our compute cluster for extensive training and evaluation projects. Research areas include AI honesty, robustness, transparency, and mitigating trojan/backdoor behaviors, all geared towards reducing real-world risks from sophisticated AI systems.

Join OpenAI as a Research Scientist and explore cutting-edge machine learning innovations. In this role, you will be at the forefront of developing groundbreaking techniques while advancing our team's research initiatives. Collaborate with talented peers across various teams to discover transformative ideas that scale effectively. We seek individuals who are passionate about pushing the boundaries of AI and want to contribute to our unified research vision.

As a Solutions Engineer at method, you will play a pivotal role in bridging the gap between our innovative technology solutions and our clients' needs. You will collaborate with cross-functional teams to design, develop, and implement tailored solutions that drive efficiency and growth. Your technical expertise and exceptional communication skills will be essential in providing outstanding customer support and ensuring our clients achieve their business objectives.

About EliseAIEliseAI is at the forefront of revolutionizing critical sectors like housing and healthcare. Everyone deserves a secure place to live and access to high-quality medical care, yet these essentials can often be difficult to obtain. By seamlessly integrating AI agents into existing workflows, we enhance efficiency, lower costs, and elevate the overall user experience.Housing: We simplify the rental process, enabling users to tour apartments, sign leases, submit maintenance requests, and maintain communication with property management—all within one convenient platform.Healthcare: Our solutions streamline appointment scheduling, intake form completion, and patient-provider communications, allowing individuals to prioritize their health over administrative tasks.At EliseAI, we empower organizations to minimize manual labor, enhance accessibility, and provide a cohesive experience in vital services. We recently secured a $250 million Series E funding round led by Andreessen Horowitz to further accelerate our mission.About The RoleWe are looking for exceptional Machine Learning experts to join our expansive research team. Ideal candidates will possess remarkable mathematical and quantitative abilities, strong programming skills, and impressive academic backgrounds—such as mathematicians, theoretical physicists, or computer scientists—who are eager to apply their knowledge to tackle real-world problems.In this role, you will engage with advanced topics in machine learning and large language models, develop predictive algorithms to enhance our AI functionalities, and conduct systematic analyses on substantial datasets. As a Senior Research Scientist, you will lead comprehensive research projects that drive the evolution of EliseAI’s core models, and we expect you to influence the company's research direction. If you are passionate about utilizing your academic expertise in a vibrant startup culture, we would love to hear from you.Key ResponsibilitiesIdentify critical questions in tenant engagement, conversational AI, and LLM safety, transforming them into structured projects.Design and execute experiments, develop prototypes, and implement large-scale studies to validate hypotheses.

Join West Monroe Partners as a Senior Principal in our Energy & Utilities practice, specializing in Distributed Energy Resource Management Systems (DERMS). In this pivotal role, you will leverage your extensive industry expertise to lead innovative projects that shape the future of energy management. Your responsibilities will include collaborating with key stakeholders, designing strategic initiatives, and ensuring the successful delivery of cutting-edge solutions that enhance our clients' operational efficiencies and sustainability goals.

About AnthropicAt Anthropic, we are dedicated to developing AI systems that are reliable, interpretable, and steerable. We aim to ensure that AI is safe, beneficial, and aligned with the needs of both our users and society. Our expanding team consists of passionate researchers, engineers, policy experts, and business leaders collaborating to create groundbreaking AI solutions.About the RoleWe are seeking a talented Research Engineer with a solid foundation in computer vision, who shares our belief that visual and spatial reasoning are essential for unleashing the full potential of large language models (LLMs). In this collaborative role, you will engage in research, development, and evaluation of cutting-edge Claude models, with a specific emphasis on enhancing visual and spatial capabilities. You will contribute across multiple facets of our research initiatives, employing a full-stack approach that encompasses pretraining, reinforcement learning (RL), and runtime techniques such as agentic harnesses. Additionally, you will work closely with our product team to ensure that your vision enhancements positively influence Claude's performance in real-world applications.

Merge Labs is an innovative research facility dedicated to merging biological sciences and artificial intelligence to enhance human capability, autonomy, and experience. Our mission is to pioneer revolutionary methodologies in brain-computer interfaces that facilitate high-bandwidth interactions with the brain, seamlessly integrate advanced AI, and maintain safety and accessibility for all users.About the TeamAt Merge, we are addressing some of the most ambitious challenges in molecular engineering, synthetic biology, and neuroscience. Our Research Platform Team is responsible for creating the experimental frameworks necessary to tackle these challenges with exceptional speed and precision. The tools and methodologies developed by our team significantly enhance molecular assembly, protein expression, mammalian cell culture, advanced microscopy, sequencing, and unique custom techniques. We collaborate with program teams to establish and optimize these capabilities, implement automation where beneficial, and integrate with our data science and machine learning pipelines, continuously pushing the boundaries of throughput and innovation.About the RoleAs a Platform Scientist, you will be instrumental in developing high-efficiency and high-throughput experimental pipelines that accelerate research initiatives. You will work closely with program leads, project scientists, data scientists, and engineers, leading your work and potentially recruiting additional team members as necessary.Key Responsibilities:Collaborate with program leads and scientists to identify critical experimental requirements and workflows.Develop processes to facilitate high-throughput and/or high-efficiency experiments, including reagent production and analysis.Scope, procure, construct, program, and validate instruments to support experimental workflows.Ensure the quality, reliability, and integrity of data generated from automated pipelines, including defining and implementing suitable quality control checkpoints.Work alongside data science and machine learning engineers to incorporate metadata tracking, computational design, and analysis into experimental pipelines.Partner with electrical, mechanical, and software engineers to create custom setups.Innovate and validate concepts to enhance experimental throughput.

OverviewBecome an integral part of our dynamic R&D team dedicated to developing fully automated research systems that push the boundaries of AI. Zochi has achieved a milestone by publishing the first entirely AI-generated A* conference paper. Locus has set a new industry standard as the first AI system to surpass human experts in AI R&D.Key ResponsibilitiesConceptualize and develop innovative architectures for automated research.Work collaboratively within a specialized team of researchers addressing cutting-edge challenges in long-horizon agentic capabilities, post-training for open-ended objectives, and environment crafting.Document and publish key internal findings alongside success stories from external collaborations.QualificationsPhD or equivalent research experience in Computer Science, Machine Learning, Artificial Intelligence, or a related discipline. Outstanding candidates with significant research contributions are encouraged to apply, regardless of formal qualifications.Demonstrated history of impactful AI/ML research contributions in academic or corporate environments.Expertise in developing long-horizon, multi-agent systems and/or model post-training, especially in scientific domains or for open-ended discovery objectives.A strong passion for advancing problem-solving processes and scientific discovery, thriving in high-autonomy roles and environments.Our CultureCompetitive compensation and equity options.Unlimited Paid Time Off (PTO), emphasizing team collaboration and a community-focused workplace.Opportunities for conference participation and engagement in community initiatives.Empowered roles with high levels of responsibility.#1: We are a small, passionate team of leading investors, researchers, and industry experts committed to the mission of accelerating discovery. Join us.

About the TeamJoin the innovative Post-Training team at OpenAI, where we focus on refining and elevating pre-trained models for deployment in ChatGPT, our API, and future products. Collaborating closely with various research and product teams, we conduct crucial research that prepares our models for real-world deployment to millions of users, ensuring they are safe, efficient, and reliable.About the RoleAs a Research Engineer / Scientist, you will spearhead the research and development of enhancements to our models. Our work intersects reinforcement learning and product development, aiming to create cutting-edge solutions.We seek passionate individuals with robust machine learning engineering skills and research experience, particularly with innovative and powerful models. The ideal candidate will be driven by a commitment to product-oriented research.This position is located in San Francisco, CA, and follows a hybrid work model requiring three days in the office each week. Relocation assistance is available for new employees.In this role, you will:Lead and execute a research agenda aimed at enhancing model capabilities and performance.Work collaboratively with research and product teams to empower customers to optimize their models.Develop robust evaluation frameworks to monitor and assess modeling advancements.Design, implement, test, and debug code across our research stack.You may excel in this role if you:Possess a deep understanding of machine learning and its applications.Have experience with relevant models and methodologies for evaluating model improvements.Are adept at navigating large ML codebases for debugging purposes.Thrive in a fast-paced and technically intricate environment.About OpenAIOpenAI is a pioneering AI research and deployment organization dedicated to ensuring that general-purpose artificial intelligence benefits all of humanity. We are committed to pushing the boundaries of AI capabilities while prioritizing safety and human-centric values in our products. Our mission is to embrace diverse perspectives, voices, and experiences that represent the full spectrum of humanity, as we strive for a future where AI is a powerful ally for everyone.