杨满意

Manyi Yang

绿色化学与工程研究院

准聘副教授、博士生导师

中文简介

2013年本科毕业于中南大学化学化工学院,博士(直博)师从南京大学化学化工学院黎书华教授。2019年获得博士学位,随后加入Prof. Michele Parrinello 团队,先后在苏黎世联邦理工学院(2019年7月~ 2020年12月)和意大利技术研究院(2021年1月 ~ 2024年2月)从事博士后研究工作。在反应路径自动化搜索方法的开发、增强采样分子动力学模拟、复杂稀有事件(化学反应、物质相变、工业催化)的微观机制研究方面均具有丰富的经验。近年来在Nat. Catal., Phys. Rev. Lett., Chem. Sci., J. Chem. Theory Comput., ACS Catal. 等期刊发表论文多篇。

主要研究方向为:一、反应路径自动化搜索方法的开发及其在机理研究及反应设计中的应用;二、机器学习辅助的增强采样分子动力学模拟方法的开发及其在物质相变、工业催化等研究领域中的应用。


英文简介

Manyi Yang received her B.S. degree from Central South University in 2013, Ph.D. degree from Nanjing University in 2019 (Supervisor: Prof. Shuhua Li). She then worked as a postdoctoral researcher (Supervisor: Prof. Michele Parrinello) at ETH Zurich, Switzerland (2019.07 ~ 2020.12) and at Istituto Italiano di Tecnologia (IIT), Italy (2021.01 ~2024.02). She is good at automatic reaction pathway search, enhanced sampling simulation and has extensive experience in the study of mechanisms for complex rare events (chemical reactions, phase transitions, industrial catalysis). Some of her representative works have been published in Nat. Catal., Phys. Rev. Lett., Chem. Sci., J. Chem. Theory Comput., ACS Catal. and so on.

Research interests:1. Development of automatic reaction pathway search methods and their applications in the study of mechanisms and reaction design; II. Development of enhanced sampling molecular dynamics simulation methods accelerated by Machine Learning and their applications in phase transitions, industrial catalysis, etc.