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cond-mat.mtrl-sci2025
Quantum Anharmonic Effects in Hydrogen-Bond Symmetrization of High-Pressure Ice
Qi Zhang, Lei Wang
The nuclear quantum effects of hydrogen play a significant role in determining the phase stability of water ice. Hydrogen-bond symmetrization occurs as hydrogen atoms tunnel in a d…
cond-mat.mtrl-sci2025
Neural Canonical Transformations for Quantum Anharmonic Solids of Lithium
Qi Zhang, Xiaoyang Wang, Rong Shi +3
Lithium is a typical quantum solid, characterized by cubic structures at ambient pressure. As the pressure increases, it forms more complex structures and undergoes a metal-to-semi…