Publications

Thermal Transport

Ab-initio heat transport in defect-laden quasi-1D systems from a symmetry-adapted perspective

yujie-cen

• Jan 1, 2026 • 1 min read

Accelerating the identification of stable configurations in mixed-anion perovskite materials

c-zhu

• Jan 1, 2025 • 1 min read

Thermal Transport

Accelerating Green-Kubo heat transport simulations for quasi-1D systems using highly accurate machine-learned force fields

s-wieser

• Jan 1, 2025 • 1 min read

Thermal Transport

Accelerating first-principles molecular-dynamics thermal conductivity calculations for complex systems

s-wieser

• Jan 1, 2025 • 1 min read

Residual entropy of ice: A study based on transfer matrices

dz-li

• Nov 11, 2024 • 1 min read

Statistical Mechanics

Residual Entropy of Hexagonal Ice and Cubic Ice: A Transfer Matrix Description

dz-li

• Apr 24, 2024 • 1 min read

High Concentration Intrinsic Defects in MnSb2Te4

j-xiong

• Aug 1, 2023 • 1 min read

Determining ground states of alloys by a symmetry-based classification

yujie-cen

• May 16, 2022 • 1 min read

Magnetic Materials

Theoretical study of magnetic phase transition in La23M13MnO3 (M= Ca, Sr) membranes through strain and doping

jy-lin

• Jan 1, 2022 • 1 min read