Computational Theoretical Chemist III

Company OverviewAt 1910genetics, we are at the forefront of biotechnological innovation, uniquely positioned as an AI-native company that is reshaping the landscape of therapeutic discovery. Our approach integrates vast multimodal datasets, cutting-edge AI models, and high-throughput lab automation to create a robust framework for AI-driven drug discovery.We pride ourselves on attracting the top 1% of talent to join our diverse team of scientists, engineers, researchers, operators, innovators, drug developers, business professionals, and technologists.Become a part of our mission to construct the world's first AI infrastructure for technology-enabled drug discovery and to produce a comprehensive pipeline of diverse drug modalities targeting major disease areas.Our computational methodologies are revolutionizing drug discovery. Leveraging advancements in extensive chemical data, unparalleled computing resources, artificial intelligence, and molecular dynamics simulation, we are transforming the paradigm of new drug development. At 1910genetics, computation is central to our drug discovery efforts, combining expertise in computational chemistry, structural biology, pharmacology, data science, and software engineering to address previously elusive drug targets.Role Description

Company Overview1910genetics stands at the forefront of AI-driven biotechnology, leading the charge in the discovery of small and large molecule therapeutics. By merging vast multimodal data, cutting-edge AI models, and high-throughput lab automation, we are establishing the framework for AI-enhanced drug discovery.Our team is composed of the top 1% of talent, bringing together scientists, engineers, researchers, operators, innovators, drug developers, business professionals, and technologists in a collaborative environment.Join us in our mission to create the world’s first AI infrastructure for technology-driven drug discovery, delivering a diverse pipeline of drug modalities addressing all major disease areas.Computation is revolutionizing drug discovery. The synergy of extensive chemical data, powerful computing capabilities, artificial intelligence, and molecular dynamics simulations is transforming our approach to new drug development. At 1910genetics, we prioritize computation in drug discovery, integrating expertise from computational chemistry, structural biology, pharmacology, data science, and software engineering to target previously undruggable entities.Role Description

Company OverviewAt 1910genetics, we are at the forefront of biotechnology, uniquely utilizing AI to advance the discovery of small and large molecule therapeutics. Our innovative approach integrates extensive multimodal data, cutting-edge AI models, and high-throughput lab automation, creating a revolutionary infrastructure for AI-driven drug discovery.We are committed to hiring the top 1% of talent to join our diverse team of scientists, engineers, researchers, operators, innovators, drug developers, business professionals, and technologists.Become a part of our mission to establish the world's first AI-powered infrastructure for tech-enabled drug discovery, delivering a diverse pipeline of drug modalities aimed at tackling all major disease areas.Computational methods are transforming the landscape of drug discovery. With advancements in large-scale chemical data, immense computational power, artificial intelligence, and molecular dynamics simulations, we are redefining the way new drugs are developed. At 1910genetics, computation is the cornerstone of our drug discovery process, blending expertise in computational chemistry, structural biology, pharmacology, data science, and software engineering to develop treatments for targets that were previously deemed undruggable.

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.

Job Title: Analytical Chemist – OligonucleotidesLocation: Boston, MA (Hybrid – 3 days onsite)Duration: 12 months (extension possible)The Analytical Chemist will play a crucial role in the Technical Operations Analytical team, primarily focusing on providing analytical support for oligonucleotides and peptides in late-stage development. This position requires a strong background in laboratory instrumentation and oligonucleotide expertise.Key Responsibilities:Deliver analytical support for oligonucleotide and peptide-oligonucleotide conjugated compounds in late-stage development.Develop, optimize, and validate robust LC/MS, IP-RP-HPLC, and SAX-HPLC analytical methods tailored for the analysis and purification of highly modified oligonucleotide drug substances.Conduct analytical testing using a variety of systems including IP-RP-HPLC, AX-HPLC, UPLC, LC-MS, and LC-MS/MS (Agilent, Waters, Thermo) along with associated data software.Operate, maintain, and troubleshoot laboratory instrumentation to guarantee accurate and reliable results.Ensure adherence to GLP/GMP standards within a regulated pharmaceutical setting.Compose technical documents such as protocols, reports, and method validation documents; effectively communicate findings across cross-functional teams.Work independently while fostering collaboration with Technical Operations, Quality, and Manufacturing teams.

Eurofins Scientific is hiring an Analytical Development Chemist based in Boston. This role centers on creating and improving analytical methods that support the company’s laboratory services. The chemist will work closely with colleagues from various teams to deliver accurate and reliable results for clients. Key responsibilities Develop and refine analytical methods used in laboratory testing Collaborate with cross-functional teams to help achieve project objectives Ensure results consistently meet quality standards and client expectations Collaboration and impact This position involves frequent teamwork with other scientists and professionals. The chemist’s work directly supports the quality and reliability of laboratory services provided to clients.

Inductive Bio partners with biotech and pharmaceutical companies to accelerate drug discovery through AI-driven virtual labs. The platform supports the full Design-Make-Test-Analyze (DMTA) cycle, combining proprietary ADMET prediction models, dose estimation tools, and Indy, an AI medicinal chemistry assistant. The company collaborates with CROs to connect computational design with experimental validation, offering advanced synthesis, direct-to-dose testing, and tier 1 ADME panels. Inductive Bio works on both small molecule and beyond-rule-of-five programs. Beacon-1, Inductive’s core technology, has earned top honors in the 2025 Polaris and 2026 OpenADMET-ExpansionRx blind competitions, outperforming major industry players. The company has raised $30 million from investors including Obvious Ventures, a16z Bio + Health, and Lux Capital, and received a $21 million ARPA-H CATALYST award for toxicity model development. Role overview The AI-Driven Medicinal Chemist will help shape Inductive Bio’s AI-centric drug discovery platform. Reporting to the Head of Medicinal Chemistry, this role plays a central part in all phases of the DMTA cycle. The position is based in New York City, San Francisco, or Boston. What you will do Act as an embedded expert on partner drug discovery programs, supporting work from lead generation through development candidate nomination for various small molecule modalities. Collaborate with computational chemistry, DMPK, and machine learning teams, applying both Inductive’s tools and your medicinal chemistry expertise as a consultant on partner projects. Integrate Inductive’s experimental services, predictive models, and AI workflows with chemistry and assay CRO partners to efficiently test hypotheses and deliver value for partners. Contribute to the development of an AI-native drug discovery platform, shaping Indy (the AI medicinal chemistry agent) and building assay and synthesis workflows for faster, higher-quality results. Advance Inductive’s mission by building industry relationships, engaging with partners, gathering insights from drug discovery teams, attending conferences, giving presentations, and authoring blog posts and publications.

Role overview Harvard University is hiring a High Performance Computing Engineer based in Boston. This position centers on the design, construction, and enhancement of high-performance computing (HPC) systems and infrastructure. The engineer will work closely with researchers and faculty, providing technical expertise to meet advanced computational requirements for scientific research projects. Supporting innovation and research through reliable and efficient HPC resources is a key focus of this role. Key responsibilities Design and build high-performance computing systems Improve and maintain HPC infrastructure Collaborate with faculty and researchers to address computational challenges Location This position is based in Boston.

About Us: Axiomatic AI is pioneering a new generation of AI systems that apply the scientific method rigorously. By integrating deep learning with formal logic and physics-based modeling, we develop verifiable and interpretable AI systems that enhance and assist human researchers within critical scientific and engineering processes. Our Mission, 30×30: We are committed to achieving a 30× enhancement in the speed, accessibility, and affordability of semiconductor and photonic hardware development by the year 2030. We envision transforming hardware design and simulation across these sectors and are assembling a team of passionate professionals to translate these advancements from research into commercial products. Position Overview: As an AI Research Scientist specializing in photonic and neuromorphic computing, you will be instrumental in crafting AI algorithms and architectures, as well as simulation and optimization frameworks tailored for innovative, non-traditional computing platforms. You will help develop algorithms, digital twins, and training methods that connect AI, physics, and hardware-aware system design within Axiomatic's next-generation computational science tools. This position is part of Axiomatic's long-term research and product strategy, involving collaboration across various projects and initiatives, and working closely with AI researchers, physicists, and software engineers to translate cutting-edge concepts into scalable, impactful solutions. Your Mission: Simulation and Digital Twins: Create simulation and digital-twin tools that effectively model physical effects such as nonlinearities, noise, and precision limits, facilitating hardware-aware algorithm development. Co-Design and Collaboration: Collaborate with internal AI, software, and hardware teams to ensure cohesive alignment between algorithms, system constraints, and overarching platform objectives, including the automation of scientific workflows. Algorithm and System Design: Architect and prototype machine-learning frameworks and physics-aware optimization workflows for neuromorphic systems, examining efficient mappings of AI models onto emerging hardware substrates. Research, Benchmarking, and Reporting: Assess system-level performance trade-offs, conduct benchmarking studies, document findings, and contribute to technical decision-making across Axiomatic’s R&D portfolio.

Join Motional's cutting-edge team at our global headquarters located at 100 Northern Avenue in Boston, MA. Situated in the lively Seaport district, our office boasts stunning views of Boston Harbor and is conveniently close to major transit lines, a variety of restaurants, and popular attractions.Mission Overview:At Motional, our CORE team is at the forefront of developing our vehicle's Compute and Onboard Runtime Environment. We are dedicated to creating a leading AI compute platform for autonomous vehicles, executing the software and neural networks crucial for vehicle autonomy.The Next-Gen Technologies team, a key part of CORE, operates at the intersection of software engineering, machine learning, sensors, and hardware compute platforms to advance Motional's onboard vehicle architecture. If you are a passionate software engineer excited about embedded AI hardware and software systems, we would love to connect with you!Your Role:As a Senior Engineer on the Next-Gen Technologies team, you will play a vital role in enhancing the compute performance of our autonomous driving systems, contributing to the entire development lifecycle from ideation to proofs-of-concept to production.Your Responsibilities:Specialize in ML model deployment, integration of multiple ML models, and optimization on embedded compute platforms.Deep dive into the complete ML software stack, analyzing workload performance across various hardware processors, optimizing ML models, and enhancing ML software to continuously improve our stack with efficient approaches.Design, develop, test, integrate, and optimize software tools on diverse ML compute architectures.Collaborate with experts in perception, prediction, and other autonomous driving areas to enable algorithms on GPU, NPU, and other ML accelerator architectures.Optimize GPU/NPU resource utilization and manage sharing across multiple programs on the same system.Lead design initiatives to assess system needs and enhance our ML software stack accordingly.Provide technical guidance to peers and management.

About AbiologicsAbiologics is a pioneering company under Flagship Pioneering, dedicated to innovating in the field of synthetic biology through the development of Synteins™—a revolutionary category of fully synthetic proteins crafted from entirely artificial building blocks, including D-amino acids and non-canonical residues. Synteins are engineered to overcome the constraints of conventional biologics, offering enhanced oral stability, immune evasion, and metabolic durability, all while being fully programmable by design.Utilizing a cutting-edge AI-enabled discovery platform, Abiologics merges generative design, automated synthesis, and rapid experimental screening to facilitate iterative optimization at scale.

About Cellular IntelligenceCellular Intelligence, previously known as Somite AI, is an innovative venture-backed firm striving to redefine the realm of stem cell biology. We are on a mission to develop AI foundation models that will revolutionize human stem cell applications and promote scalable novel cell therapies.Our comprehensive approach involves generating data at unprecedentedly low costs, training large-scale models with unparalleled predictive capabilities, and employing these models to discover, refine, and optimize impactful applications in cell therapy.Our exceptional founding team includes seasoned AI entrepreneur Dr. Micha Breakstone (Chorus.ai, acquired for $575M), the Head of the Fundamental AI Group at MIT, who has pioneered foundational research on scaling laws, alongside three esteemed Harvard Medical School professors and members of the National Academy of Sciences/Medicine, including the Chair of the Genetics Department at HMS. Based in Boston and set to commence operations in January 2024, Cellular Intelligence has successfully raised nearly $60M to date.Core Values of Cellular Intelligence:Accountability: We show up fully, taking responsibility and committing to our goals.Urgency: We act swiftly and decisively, maintaining a proactive approach.Collaboration: We support one another with empathy and teamwork.Location: Boston, MA (onsite, full-time)About the Role:In the capacity of Senior Computational Biologist, you will be instrumental in developing pipelines, models, and conducting research on extensive single-cell datasets. This role is tailored for individuals passionate about large-scale transcriptomic data that will contribute to pioneering cell replacement technologies. You will operate at the intersection of developmental biological research, data science, and software development, aiding in single-cell and spatial transcriptomics analysis while translating scientific breakthroughs into advanced cell replacement therapies.

About AbiologicsAbiologics is a pioneering biotechnology company at the forefront of developing Synteins™—a revolutionary class of fully synthetic proteins crafted from artificial building blocks like D-amino acids and non-canonical residues. Our Synteins are engineered to overcome the limitations of traditional biologics, offering enhanced oral stability, immune evasion, and metabolic durability—all while being fully programmable by design.Utilizing an advanced AI-enabled discovery platform, Abiologics seamlessly integrates generative design, automated synthesis, and rapid experimental screening to facilitate large-scale iterative optimization.Position SummaryWe are on the lookout for a talented Protein Design Scientist to become a key member of our Computational Protein Design team. In this interdisciplinary role, you will spearhead structure-based design and optimization of synthetic proteins, operating at the intersection of computational design, structural biology, and protein engineering.

Join Squarepoint Capital as a Quantitative Developer specializing in High Performance Computing with expertise in Python. In this pivotal role, you will contribute to the development and optimization of advanced quantitative models, leveraging your technical skills to enhance performance in a fast-paced environment. Your work will directly influence trading strategies and investment decisions, making a significant impact on the firm's success.

IonQ is at the forefront of the quantum computing revolution, pioneering the development of the world’s most advanced full-stack quantum computer utilizing trapped-ion technology. Our mission transcends classical physics and supercomputing, aiming to usher in a new era of computing that has the potential to positively transform every facet of human society. Industries such as medicine, materials science, finance, artificial intelligence, machine learning, and cryptography will be redefined by IonQ’s groundbreaking technology.As a Senior Atomic Physicist, you will play a crucial role in the development of optical signal chains for long-range quantum networks and modular quantum computing. Collaborating with a distinguished team of scientists and engineers, you will contribute to the creation of systems designed to efficiently process and store quantum information from photons, which are essential for constructing scalable quantum computing architectures. Your work will encompass everything from the innovative design of systems to the operational scaling of optical signal chains that will serve as the backbone for the world’s largest quantum computers.

Role overview Veeva Systems Inc. is hiring a Computer System Validation Lead / Program Manager in Boston, Massachusetts. This position is responsible for upholding the integrity and compliance of the company’s software systems. The role involves leading validation activities and working with teams from various departments. What you will do Lead validation efforts for computer software systems Collaborate with cross-functional teams to ensure systems meet regulatory requirements Manage projects that enhance quality assurance processes Requirements Strong knowledge of validation requirements in the life sciences industry Dedication to delivering solutions that align with regulatory and quality expectations

About Merlin Labs: Merlin Labs is a pioneering aerospace startup, supported by venture capital, which is dedicated to developing non-human pilots to facilitate both reduced crew and uncrewed aviation. With the backing of some of the world's foremost investors, Merlin Labs is rapidly expanding, working closely with clients to harness autonomy and tackle some of the most significant challenges in aviation today.About You: You are a passionate computer vision engineer with a knack for transforming raw sensor data into valuable insights. You excel at the intersection of algorithms, hardware, and real-world implementation, designing systems that can perceive, comprehend, and engage with the physical environment. Your expertise spans high-level model development to low-level camera calibration, and you take pride in creating resilient solutions that consistently perform outside the confines of the laboratory.

About Merlin Labs: Merlin Labs is an innovative aerospace startup that is revolutionizing the aviation industry with its cutting-edge non-human piloting technology. With strong backing from top-tier investors, we are on a mission to empower both crewed and uncrewed flight, tackling some of the most pressing challenges in aviation through the power of autonomy.Your Role: As the Compute Platform Lead, you will play a pivotal role in shaping the future of autonomous flight by ensuring our compute platforms deliver unmatched reliability, real-time performance, and scalability. You will design and oversee platforms that support complex, mission-critical systems, including cloud machine learning training, high-fidelity simulation, and embedded environments.Your Expertise: We are looking for a seasoned platform engineer who not only maintains infrastructure but innovates it. You will serve as a technical authority, collaborating closely with teams in autonomy, perception, controls, and flight software to create a robust compute foundation that accelerates development while ensuring safety and scalability.Your Impact: In this role, your designs will have a direct influence on real-world performance outcomes. You will balance long-term technical vision with hands-on involvement in addressing the most intricate systems challenges.

About Us: Axiomatic AI is pioneering a new generation of AI systems that embody the principles of the scientific method. By merging deep learning with formal logic and physics-based modeling, we are creating verifiable and interpretable AI systems that enhance and support human researchers in critical scientific and engineering tasks. Our ambitious mission, 30×30, aims to achieve a 30-fold improvement in the speed, accessibility, and cost-effectiveness of semiconductor and photonic hardware development by the year 2030. We are set to transform hardware design and simulation across these sectors, assembling a team of passionate professionals dedicated to translating innovative research into commercial products. Position Overview: As a Research Software Engineer with a focus on scientific computing systems, you will be responsible for constructing and scaling the computational foundation of our scientific tools. This includes accelerating simulation and optimization workloads, facilitating robust distributed execution, and ensuring correctness and reproducibility across numerical pipelines. You will collaborate closely with a diverse team comprising AI Engineers, Software Engineers, Mathematicians, and Physicists to develop tools that revolutionize how engineers and scientists leverage AI in their daily operations. Your Mission: Scalable Scientific Computing: Develop high-performance, reliable systems for simulation, inference, optimization, and uncertainty quantification workflows, particularly in the realms of electromagnetic simulation and inverse design. Performance Optimization: Analyze and enhance performance throughout end-to-end pipelines (CPU/GPU). Distributed Execution & HPC: Design and sustain distributed computing infrastructure for extensive sweeps and multiple experimental runs (multi-GPU/multi-node), emphasizing reproducibility, observability, and developer usability. Verification & QA: Establish rigorous testing and verification protocols for scientific computing pipelines (numerical regression, invariants, convergence tests, golden datasets), ensuring reliable results over time.

Join AECOM’s Urbanism + Planning team as an innovative Urban Planner in the vibrant city of Boston. This position presents a unique chance to engage in multidisciplinary planning projects that span some of New England's most iconic locations—from national parks and scenic waterfronts to historic downtowns—across the East Coast. You will collaborate with a dynamic team of urban designers, planners, engineers, environmental scientists, and economists to develop impactful plans and facilitate stakeholder engagement initiatives that empower municipal, federal, and private-sector clients to advance transformative projects centered on revitalization and resilience. Key Responsibilities:Drive business development initiatives and enhance visibility to expand AECOM’s planning and design capabilities.Oversee master plans, comprehensive plans, and strategic planning processes.Contribute to land use and zoning analyses, open space assessments, urban design evaluations, and economic development strategies.Lead the creation of compelling reports, presentations, graphics, and maps for diverse audiences including public stakeholders, elected officials, and regional leaders.Engage with stakeholders, coordinate meetings, and manage follow-up actions for planning activities.