CTCI Leadership & Members
Leadership of the Computational and Theoretical Chemistry Institute
The inaugural leadership of the institute includes Dr. Sotiris Xantheas as Director and Dr. Sutanay Choudhury as Deputy Director. Their combined expertise in exascale electronic structure calculations and data sciences, respectively, will provide a foundation for bringing the breadth of the PNNL computing community together, as well as building strong external partnerships, cross-directorate collaborations, and external partnerships. The institute has an extraordinary external Advisory Board comprised of world leaders in computational chemistry and data science from academia, industry, and other national laboratories.
CTCI Leadership | PNNL Management |
---|---|
![]() Sotiris Xantheas | ![]() Wendy Shaw |
![]() Sutanay Choudhury | ![]() Aaron Appel |
![]() James Ang |
Members
Khushbu Agarwal Senior Computer Scientist | Sayan Ghosh Computer Scientist | Robert Rallo Division Director |
Shady Ahmed Postdoctoral Research Associate | Bojana Ginovska Scientist, Team Lead | Mark Raugas Mathematician |
Edoardo Aprà Computational Scientist | Niranjan (Niri) Govind Physicist | Peter Rice Postdoctoral Research Associate |
Luke Awino Data Scientist | Michael Hofmockel Data Capability Lead | Paul Rigor Software Engineer |
Marcel Baer Chemist | Sameera Horawalavithana Data Scientist | Robby Robinson Project Management Office Director |
Jaydeep Bardhan Science Area Lead | William Johns Data Scientist | William (Steven) Rosenthal Mathematician |
Kevin Barker Group Lead | Keerti Kappagantula Senior Scientist, Team Lead | Dylan Ross Postdoctoral Research Associate |
Nicholas Bauman Chemist | Sebastien Kerisit Computational Scientist | Kevin Rosso Laboratory Fellow, Chemist |
Eva Brayfindley Group Lead | Rachit Khare Postdoctoral Researcher | Suman Samantray Postdoctoral Research Associate |
Eric Bylaska Theoretical Chemist | Doo Nam Kim Computational Scientist | Michel Sassi Materials Scientist |
Yunxiang Chen Mathematician | Karol Kowalski Laboratory Fellow, Computational Scientist | Gregory Schenter Laboratory Fellow, Physicist |
Margaret Cheung Scientist | Neeraj Kumar Senior Data Scientist | Kate Schultz Data Scientist |
Sutanay Choudhury Computer Scientist | Henry Kvinge Data Scientist | Wendy Shaw Chief Science and Technology Officer |
Danielle Ciesielski Data Scientist | Mal-Soon Lee Senior Research Scientist | Henry Sprueill Data Scientist |
Yuri Corilo Computational Scientist | Ang Li Computer Scientist | Panos Stinis Mathematician |
Kayte Denslow Physicist | Juan A. Lopez-Ruiz Chemical Engineer | Maria Sushko Computational Scientist |
Ram Devanathan Division Director | Mark Maupin Data Scientist | Peter Sushko Materials Scientist |
Arun Devaraj Scientist | Daniel Mejia Rodriguez Computational Scientist | Nathan Tallent Computer Scientist |
Hadi Dinpajooh Postdoctoral Research Associate | Chris Mundy Laboratory Fellow, Physicist | Mohammad Fuad Nur Taufique Materials Scientist |
Ján Drgoňa Data Scientist | Erdal Mutlu Computer Scientist | Antonino Tumeo Computer Scientist |
Yingge Du Materials Scientist, Team Lead | Giridhar Nandipati Computational Scientist | Xue-Bin Wang Chemist |
Song Feng Computational Scientist | Nick Nelson Chemical Engineer | Nancy Washton Chemist |
John Feo Senior Manager | Manh Thuong Nguyen Computational Scientist | Eric Wiedner Chemist |
Jesun Firoz Computer Scientist | Mariefel Olarte Senior Research Chemical Engineer | Sotiris Xantheas Laboratory Fellow, Computational Scientist |
Yucheng Fu Mathematician | Bo Peng Computational Scientist III | Zhijie (Jay) Xu Mechanical Engineer |
Peiyuan Gao Mathematician | Jenna Pope Data Scientist | Tianzhixi (Tim) Yin Data Scientist |
Belinda Garana Postdoctoral Research Associate | Micah Prange Computational Scientist |