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The Advanced Computing for Chemistry & Materials Group of the Science Engagement Section partners with HPC and data analytics users in the chemical and materials sciences.

The Science Engagement section partners NCCS users with experts in scientific domains and computation to obtain optimal scientific results from the center’s computational resources and systems. The members of this section include experts in the chemical and materials sciences; in nuclear physics, such as nuclear structure and quantum chromodynamics; in high energy physics, such as particle physics; in astrophysics, such as stellar evolution and cosmology; and in climate science, geophysics, biology, biomedical sciences, and engineering. Additionally, this section works to improve algorithms and application performance.

Meet the team

Dmytro Bykov

Group Lead in Computing for Chemistry & Materials

Alessandro Baroni

Computational Scientist, Quantum Computing

Maria Batool

Postdoctoral Researcher

Khadiza Begam

Postdoctoral Research Associate

Toño Coello Perez

Computational Scientist

Hector Corzo

Post-Doctoral Research Associate

Spancer Dong

Postdoctoral Research Associate

Markus Eisenbach

Computational Scientist

Swarnava Ghosh

Computational Scientist

Jens Glaser

Computational Scientist, Materials

Peter Groszkowski

Computational Scientist, Quantum Computing

Richard Messerly

Computational Scientist

David Rogers

Computational Scientist

Tanvir Sohail

Postdoctoral Research Associate

Maria White

Administrative Assistant