---
title: 'Computational Theoretical Chemist I at 1910'
canonical: 'https://feeny.ai/job/computational-theoretical-chemist-i-1910-boston-sdkgw1qv24a3'
type: 'job'
last_seen: '2026-09-11'
---

# Computational Theoretical Chemist I at 1910

- **Company:** 1910
- **Location:** Boston, MA
- **Posted:** 2026-01-26
- **Last confirmed live:** 2026-09-11
- **Apply:** https://job-boards.greenhouse.io/1910genetics/jobs/5096354008

## Job description

Company Overview

We are the only AI-native biotech, pioneering small and large molecule therapeutics discovery by integrating massive multimodal data, frontier AI models, and high-throughput lab automation into an infrastructure for AI-enabled drug discovery.

We hire top 1% talent to join our interdisciplinary team of scientists, engineers, researchers, operators, innovators, drug developers, business professionals, and technologists.

Join us to build the world’s first AI infrastructure for tech-enabled drug discovery and to deliver a pipeline of diverse drug modalities for all major disease areas.

Computation is revolutionizing drug discovery. Advances in big chemical data, massive computing power, artificial intelligence, and molecular dynamics simulations are changing the way we develop new drugs. At 1910 , we put computation at the heart of drug discovery, blending expertise in computational chemistry, structural biology, pharmacology, data science, and software engineering to develop drugs for previously undruggable targets.

## Role Description

- Own computational theoretical chemistry programs across therapeutic modalities, disease targets, and indications
- Ensure effective collaboration with the Biology, and Medicinal Chemistry teams by providing key computational chemistry insights to aid in the Hit-to-Lead and Lead Optimization phases of drug discovery operations
- Ensure effective collaboration with the ML Engineering and AI Research team by providing key computational chemistry insights to aid in the development of AI/ML models for drug discovery as well as the incorporation of those models into drug discovery operations
- Teach key computational chemistry principles to your cross-disciplinary colleagues from Medicinal Chemistry, AI Research, Machine Learning Engineering, Cell Biology, and Pharmacology
- Partner to improve 1910’s existing process for progressing from computational hit to experimental hit to lead to drug candidate
- Co-author provisional patents and peer-reviewed research papers
- Validate a cellular hit in a clinically relevant animal model of disease
- Update provisional patents with the animal model data
- Nominate a lead candidate for progression into IND-enabling studies
- Attend and present research at conferences and events related to computational modeling in drug discovery

## Qualifications

- Ph.D. in computational chemistry or related discipline
- In-depth knowledge and hands-on experience with quantum chemical (QC) methods, including semi-empirical and density functional theory (DFT) approaches, molecular dynamics (MD) simulations, including both standard MD and enhanced sampling techniques such as metadynamics, umbrella sampling, and replica exchange MD, free energy simulations such as FEP and TI, and QM/MM methodologies for small and large molecular systems
- Strong understanding of key concepts, including potential energy surfaces (PES), intermolecular and intramolecular forces/interactions, force fields, molecular properties, thermodynamic properties, solvation models (implicit/explicit), and conformational sampling
- Proficiency in analyzing molecular properties such as solvation free energy, dipole moments, vibrational frequencies, electrostatic potential, charge distribution, and more
- Deep knowledge of implicit and explicit solvent models, with extensive experience modeling solvent effects on molecular systems and chemical reactions in various environments
- Extensive experience in using and troubleshooting software tools for QC calculations (e.g., ORCA, xTB, CREST, etc.), MD simulations (e.g., GROMACS, OpenMM, etc.), Drug Design Development Packages (e.g., EG, Schrodinger, MOE, CRESSET)
- Experience working with HPC Clusters and cloud-based services like (e.g., Microsoft AZURE, AWS)
- Ability to optimize computational simulation protocols for efficient resource usage
- Proven experience working with small organic molecules and large biomolecular systems (e.g., peptides, proteins, etc.) for property prediction, conformational analysis, and structure-activity relationships (SAR)
- Hands-on experience with Python and Bash scripting for automating workflows and data analysis
- Familiarity with cheminformatics toolkits such as RDKit for molecular property prediction and data management
- Basic knowledge of machine learning (ML) techniques applied to molecular property prediction, virtual screening, and related tasks
- Strong desire to collaborate with AI scientists, data scientists, medicinal chemists, and biologists to interpret computational results and guide experimental design
- Clear and effective communication of complex scientific ideas through reports, presentations, and publications

Nice to Haves

- Relevant industry experience via internship and co-op
- Publication records in computational chemistry related to drug discovery

#LI-Onsite Diversity and Inclusion (1910’s Promise)

At 1910, we believe that a diverse, equitable, and inclusive workplace furthers relevance, resilience, and longevity. We encourage people from all backgrounds, ages, abilities, and experiences to apply. 1910 is proud to be an equal-opportunity workplace and is an affirmative action employer. We are committed to equal employment opportunity regardless of race, color, ancestry, religion, sex, national origin, sexual orientation, age, citizenship, marital status, disability, gender identity, or Veteran status. If, due to a disability, you need an accommodation during any part of the interview process, please let your recruiter know. While 1910 supports visa sponsorship, sponsorship opportunities may be limited to certain roles and skills.

## Benefits and Perks

- Competitive compensation package
- Above market benefits
- Generous vacation and parental leave
- Super cool team building activities
- Great colleagues

## About 1910

## Company Overview
- **One-liner**: 1910 is an AI-native biotechnology company building the infrastructure layer for tech-enabled drug discovery, using a multimodal AI platform integrated with laboratory automation to design small molecule and protein therapeutics.
- **Entity Type**: Private (Series A - III)
- **Headquarters**: Boston, Massachusetts, United States
- **Founded**: 2018
- **Founders**: Jen Asher, Ph.D.

## Core Business
- **Primary Industries**: AI-driven Drug Discovery, Biotechnology, Computational Chemistry
- **Target Customers**: Pharmaceutical and biotech companies (partnerships), as well as an internal pipeline for drug development (B2B and internal R&D)
- **Mission/Purpose**: “We exist to alleviate human suffering” and “make undruggable targets a thing of the past.”

## Products & Services
- **ITO™ Platform**: A first-of-its-kind Multimodal AI Platform for Modality Agnostic Drug Discovery. It integrates three proprietary data streams (computational, wet lab proxy biological, and wet lab ground truth biological) with frontier AI models and high-throughput lab automation to identify novel disease targets and design both small molecule and large molecule (protein) therapeutics.
- **ELVIS™ and ROSALYND™ Platforms**: AI-powered platforms within the ITO ecosystem specifically for small molecule drug design and protein therapeutic design.
- **CANDID-CNS™**: An AI model (attentive graph neural network) for predicting blood-brain barrier (BBB) penetration, especially for Beyond Rule of 5 (bRo5) molecules and stereoisomers. It was published in the Journal of Chemical Information and Modeling (JCIM) in December 2025 and outperforms industry standards like Pfizer’s CNS MPO.
- **Internal Pipeline**: Includes programs in neurological, autoimmune diseases, and cancer, including a non-opioid chronic pain candidate (1910-102) partially funded by the NIH HEAL Initiative.

## Market Standing
- **Valuation**: Not publicly disclosed
- **Total Funding**: $36.65 million (Series A - III) [cbinsights.com](https://www.cbinsights.com/company/1910-genetics)
- **Notable Investors**: Accenture Ventures, FoundersX Ventures, Tenacity Venture Capital, Pioneer Fund, Soma Capital, and 14 others [cbinsights.com](https://www.cbinsights.com/company/1910-genetics)
- **Growth Signals**:
    - Published CANDID-CNS™ in a peer-reviewed ACS journal (JCIM) in December 2025, establishing a scientific milestone for bRo5 and stereochemistry prediction [globenewswire.com](https://www.globenewswire.com/).
    - Announced a collaboration with Accenture to help biopharma companies transform drug discovery with AI [1910genetics.com](https://www.1910genetics.com/).
    - Active NIH-funded program (HEAL Initiative) for non-opioid chronic pain.
    - Filed at least one patent (substituted pyrimidine compounds as TYK2 inhibitors) [cbinsights.com](https://www.cbinsights.com/company/1910-genetics).

## Competitive Advantages
- **Multimodal AI Platform**: 1910 is unique for being “modality agnostic” — capable of designing both small molecule drugs and large molecule (protein) therapeutics using a single integrated AI platform. This includes ~100 AI models (including CANDID-CNS™) within the ITO platform.
- **Proprietary Data Flywheel**: The company generates three proprietary data streams (computational, wet lab proxy, wet lab ground truth) which are fed back into the AI models, creating a continuous learning loop that competitors may lack.
- **Scientific Credibility**: Published in top-tier journals (JCIM, ACS) and backed by experienced scientists from Novartis, Eli Lilly, and Pfizer.
- **Focus on Undruggable Targets**: Their explicit mission is to tackle targets previously considered undruggable, especially in CNS and autoimmune diseases.

## Strategic Focus
- **Current Priorities**: Advancing the internal pipeline (neurological, autoimmune, cancer) while expanding partnerships with pharma and tech companies. Specific focus on CNS drug discovery through the CANDID-CNS™ model and the 1910-102 chronic pain program.
- **Growth Direction**: Scaling the ITO platform and its AI models to handle more complex targets, and increasing collaborations with major pharmaceutical partners. The company is also actively hiring to expand its AI and computational chemistry teams.

## Why Work Here
- **Culture & Mission**: The company explicitly states “We exist to alleviate human suffering.” The culture emphasizes impact, urgency, integrity, teamwork, ownership, and grit.
- **Interdisciplinary Team**: Composed of Machine Learning Engineers, Medicinal Chemists, Computational Chemists, Assay Biologists, and Business Strategists — offering a highly collaborative, cross-functional environment.
- **Workplace**: Based in Boston, MA (451 D Street, Suite 905). The roles listed (AI Research Scientists, Computational Theoretical Chemists) suggest a need for on-site or hybrid presence for wet lab integration, though specific remote/hybrid policies are not stated.
- **Leadership**: Founder & CEO Jen Asher holds a Ph.D., with experience at Bain & Company, Novartis, Eli Lilly, and Harvard/Tufts. The Head of AI Research (Brandon Moore) has a Ph.D. from Vanderbilt with a background in neuroscience and ML.
- **Growth Stage**: Operating at Series A-III with a proven scientific track record, the company offers a high-growth environment with the opportunity to work on cutting-edge AI biotech problems that directly impact human health.
- **Open Roles**: As of the latest data, open positions include AI Research Scientist (multiple levels) and Computational Theoretical Chemist roles based in Boston, MA [greenhouse.io](https://job-boards.greenhouse.io/1910genetics).

## Sources
1. [1910genetics.com](https://www.1910genetics.com/)
2. [1910genetics.com/careers](https://www.1910genetics.com/careers)
3. [greenhouse.io - 1910 Genetics Jobs](https://job-boards.greenhouse.io/1910genetics)
4. [cbinsights.com](https://www.cbinsights.com/company/1910-genetics)
5. [1910genetics.com/team](https://www.1910genetics.com/team)

## Other roles at 1910

- [AI Research Scientist III](https://feeny.ai/job/ai-research-scientist-iii-1910-boston-fn1a8zqpnc42) — Boston, MA
- [Computational Theoretical Chemist II](https://feeny.ai/job/computational-theoretical-chemist-ii-1910-boston-1ehmqp7av8kq) — Boston, MA
- [Computational Theoretical Chemist III](https://feeny.ai/job/computational-theoretical-chemist-iii-1910-boston-3s3j1qhvyy67) — Boston, MA
- [AI Research Scientist I](https://feeny.ai/job/ai-research-scientist-i-1910-boston-6e5tnn82n71k) — Boston, MA
- [AI Research Scientist II](https://feeny.ai/job/ai-research-scientist-ii-1910-boston-c8krqw827xs7) — Boston, MA