3 papers
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…
physics.chem-ph2025
On the role of nuclear quantum effects on the stability of peptides
Jing Shen, Ming-Zheng Du, Dong H. Zhang +2
Nuclear quantum effects (NQEs) arising from the light mass of hydrogen can influence the structure and stability of hydrogen-bonded biomolecules, yet their role in determining pept…
physics.chem-ph2025
Learning Radical Excited States from Sparse Data
Jingkun Shen, Lucy E. Walker, Kevin Ma +4
Emissive organic radicals are currently of great interest for their potential use in the next generation of highly efficient organic light emitting diode (OLED) devices and as mole…