computational-chemistry
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Haojun Jia
Haojun Jia is the co-founder and CEO of Deep Principle, an AI-for-science startup building AI scientists that discover new materials and chemical reactions. He hatched the idea while finishing a physical chemistry PhD at MIT, where his research paired high-throughput quantum chemistry with machine learning to design catalysts. Deep Principle's platform - marketed as ReactiveAI and now the agentic tool Agent Mira - fuses deep learning with first-principles physics to compress the time and cost of materials R&D. The company has raised roughly $28 million across two rounds from investors including GL Ventures, Linear Capital, Vertex Ventures, and funds backed by Lenovo and Baidu. Jia was named to the Forbes 30 Under 30 Asia 2025 list in Healthcare & Science.
Han Lim
Han Lim is the Chief Business Officer of DeepCure, a Boston-based company building an end-to-end automated platform for small molecule drug discovery that pairs AI with a virtual library of a quintillion synthesizable compounds, robotic synthesis, and automated assays. A physician-scientist by training, he holds a medical degree from the University of Queensland, a PhD from the University of Cambridge, and did postdoctoral physics research at MIT before spending roughly a decade on the UC Berkeley faculty running a lab in systems biology and bioengineering. He helped build the first generation of AI drug discovery companies as Chief Business Officer at Atomwise, where he launched the internal pipeline, raised $168M across two rounds, and signed partners including Eli Lilly and Charles River Laboratories. He now leads business development, portfolio planning, and corporate strategy at DeepCure.
Richard Law
Richard Law is the Chief Business Officer of HAYA Therapeutics, the Lausanne- and San Diego-based biotech decoding the 'dark genome' to build RNA-guided medicines that reprogram disease-driving cell states. A computational chemist turned dealmaker with a Oxford PhD in molecular biophysics and an Imperial MBA, he spent over a decade at Evotec, then steered Exscientia through its 2021 Nasdaq IPO, marquee pharma partnerships, and 2024 merger with Recursion before joining HAYA in March 2025 to drive its partnering strategy and growth.
Huafeng Xu
Huafeng Xu is the founder and CEO of Fathom Therapeutics (formerly AtomMap), a New York drug-design company that simulates protein motion at atomic resolution to design small molecules that work inside living cells. A computational chemist with 25+ years and 10,000+ citations, Xu spent 12 years at D. E. Shaw Research building the free-energy and molecular-dynamics methods now standard across pharma, then served as CTO of Silicon Therapeutics and Roivant Discovery before launching his own company. In April 2026 Fathom closed an oversubscribed $47M Series A led by Sutter Hill Ventures to scale its Microcosmos engine.
Jung Choi
Jung Choi is the President and CEO of Alterome Therapeutics, a clinical-stage precision oncology company pioneering mutation-specific cancer drugs. With over 20 years in biopharmaceutical leadership - spanning Gilead Sciences, InterMune, Chimerix, and Global Blood Therapeutics where he led a $5.4B Pfizer acquisition - Choi brought deal-making, strategy, and operational depth to Alterome when he was appointed CEO in April 2025. Under his leadership, Alterome has advanced two first-in-class inhibitors into Phase 1/1b trials targeting KRAS and AKT1 E17K oncogenic drivers, backed by $231M in total funding including a $132M Series B.
Carly Taylor
Carly Taylor is a data scientist, ML engineer, and Field CTO for Gaming at Databricks who blends computational chemistry roots with cutting-edge machine learning to transform how the gaming industry understands player behavior. As founder of Rebel Data Science and creator of the Taylor on Tech newsletter, she advocates fiercely for diversity in data science while holding two ML patents and a track record that includes reducing player churn by 17% at Activision.