3 papers
physics.chem-ph2026
Isotope Effects at Classical Cost through Mass-Differentiable Machine Learning
Ming-Zheng Du, Shi-Yu He, Jing Shen +5
Isotope effects govern fractionation and modulate reactivity, with applications from hydrogen energy to environmental science and catalysis, yet predicting them requires resolving…
physics.chem-ph2026
Rigorous Quantum Thermodynamics from Entropic Path Integral Coarse-Graining
Jing Shen, Ziyan Ye, Ming-Zheng Du +5
Nuclear quantum effects (NQEs) remain a major challenge for molecular simulations, as rigorous treatment requires imaginary-time path-integral methods with heavy computational over…
quant-ph2024
A new fidelity of quantum channel evolution and its geometric interpretation
Xiaojing Yan, Xiao Sun, Mingming Du +1
Fidelity is crucial for characterizing transformations of quantum states under various quantum channels, which can be served as a fundamental tool in resource theories. Firstly, we…