[JCTC] Prof. Binju Wang published a paper entitled "Matching the Probability Distribution On-the-Fly: OPES-Based Dual-Level Free Energy Calculation"
Title: Matching the Probability Distribution On-the-Fly: OPES-Based Dual-Level Free Energy CalculationAuthors: Shuming Cheng, Shengheng Yan and Binju Wang*Abstract: The free energy profile (FE Profile) is essential for understanding chemical processes in complex systems. However, achieving sufficient sampling with a...
