The CMS group studies a variety of materials related subjects using computational approach

News

September 2025: Our paper "Identification of short-range ordering motifs in semiconductors" is published on Science! See press release from LBNL.
February 2025: Our paper "Enabling Type I Lattice-Matched Heterostructures in SiGeSn Alloys Through Engineering Composition and Short-Range Order: A First-Principles Perspective" is selected for the front cover of IEEE Journal of Selected Topics in Quantum Electronics!
December 2024: Xiaochen's poster on her developed approach RECOVER to deduce SRO parameter from atom probe tomography was nominated for the Best Poster Award at the Materials Research Society 2024 Fall Meeting at Boston. Congratulations!
April 2024: Shunda received First Place Civil and Environmental Engineering Award At the Research and Development Exhibition 2024. Congratulations!
April 2023: Xiaochen's presentation "Complex Roles and Structures of Short-Range Order in Si-Ge-Sn Medium-Entropy Alloy" is awarded the Best Oral Presentation Award for the Symposium "High-Entropy Materials: From Fundamentals to Potential Applications" in 2023 MRS Spring Meeting! Congratulations Xiaochen!
October 2022: We are excited to be part of the newly funded DOE Energy Frontier Research Center μ-ATOMS! The core idea of the µ-ATOMs center is based on our recent research finding of short-range order in Si-Ge-Sn alloys. We are leading the Theory Thrust, one of the four Thrusts of the $10 M research center.
June 2022: Funded by NSF! We will collaborate with Dr. Xitong Liu (PI) to understand the coupling of inorganic scaling and organic fouling in reverse osmosis desalination.
July 2021: Funded by NSF! We will collaborate with Dr. Davide Donadio (UC Davis) to develop an integrated computational suite for large-scale modeling of crystal nucleation.

Contact:

Prof. Tianshu Li

Department of Civil and Environmental Engineering

Science & Engineering Hall, Room 3800, 800 22nd St. NW

Washington, DC 20052