About Us

The Computational Molecular Sciences & Engineering Symposium at Yale University started in 2024 with the inaugural symposium hosted by the group of Prof. Amir Haji Akbari in the Department of Chemical & Environmental Engineering. The great interest from students and faculty are helping make this event an annual tradition. 

The goal of the CMSE Symposium is to bring together faculty, researchers and students interested in molecular modeling and scientific computing from both Yale School of Engineering & Applied Science (SEAS) and Faculty of Arts & Sciences (FAS) to share their most recent discoveries with the community. Areas of interest include but are not limited to: statistical thermodynamics, molecular simulations, quantum mechanical calculations, computational fluid dynamics, numerical modeling, statistical inferencing, ML methods in molecular sciences, coarse grain & multiscale modeling, etc. 

Emboldened by the strategic vision at Yale Engineering and with the support of Yale Graduate School’s Dean’s Fund for Colloquia & Symposia the idea for the symposium was brought to reality. 

Symposium History

Year Host Group Speakers (Department)
2025 O’Hern Group
  1. Prof. Mark Gerstein (Biomedical Informatics, Molecular Biophysics & Biochemistry)
  2. Prof. Amir Haji-Akbari (Chemical & Environmental Engineering)
  3. Dr. Sebastian Gonzales La Corte (Yan Group, Molecular, Cellular, & Developmental Biology)
  4. Jake Sumner (O’Hern Group, Computational Biology & Bioinformatics)
  5. Omar Khalifa (Haji-Akbari Group, Chemical & Environmental Engineering)
  6. Phillip Kang (Suomivuori Lab, Computational Biology & Bioinformatics)
  7. Dr. Aya Nawano (Yale Center for Research Computing)
2024 Haji-Akbari Group
  1. Prof. Victor Batista (Chemistry)
  2. Prof. Corey O’Hern (Mechanical Engineering)
  3. Haoyu Liu (Pahlavan Group, Mechanical Engineering)
  4. David Silva Sánchez (Lederman Group, Applied Mathematics)
  5. Christian Venturella (Zhu Group, Chemistry)
  6. Dr. Aya Nawano (Yale Center for Research Computing)

Participating Groups

  • Amir Haji-Akbari

    Associate Professor of Chemical & Environmental Engineering

  • Corey O'Hern

    Professor of Mechanical Engineering, Materials Science, Physics & Applied Physics

  • Victor Batista

    John Gamble Kirkwood Professor of Chemistry

  • Mark Gerstein

    Albert L Williams Professor of Biomedical Informatics and Professor of Molecular Biophysics & Biochemistry, of Computer Science, and of Statistics & Data Science

  • Amir Pahlavan

    Assistant Professor of Mechanical Engineering

  • Roy Lederman

    Assistant Professor of Statistics & Data Science

  • Tianyu Zhu

    Assistant Professor of Chemistry