李竞白

  个人简介

      霍夫曼先进材料研究院副教授。本科毕业于郑州大学，2019年在美国伊利诺伊理工大学化学系获博士学位。2019至2022年在美国东北大学化学与生物化学系Steven Lopez教授课题组进行博士后研究。主要研究方向为高能量密度有机材料设计，光化学反应理论模拟，以及机器学习非绝热动力学方法开发。发表学术论文20余篇，包括Acc. Chem. Res., J. Am. Chem. Soc., Chem. Sci.等国际顶尖期刊。

    课题组主页：https://www.x-mol.com/groups/hiam_mlcclab

 代表性论文

1. J. Li, S. A. Lopez, “A look inside the black box of machine learning photodynamics simulations”, Acc. Chem. Res., 2022, Accepted.

2. J. Li, S. A. Lopez, “Excited-state distortions promote the reactivities and regioselectivities of photochemical 4π-electrocyclizations of fluorobenzenes”, Chem. A Eur J. 2022, e202200651.

3. J. Li, R. Stein, D. M. Adrion, S. A. Lopez, “Machine-learning photodynamics simulations uncover the role of substituent effects on the photochemical formation of cubanes”, J. Am. Chem. Soc. 2021, 143, 20166–20175 (Selected as Cover Page).

4. J. Li, P. Reiser, B. R. Boswell, A. Eberhard, N. Z. Burns, P. Frederich, S. A. Lopez, “Automatic Discovery of Photoisomerization Mechanisms with Nanosecond Machine Learning Photodynamics Simulations”, Chem. Sci., 2021, 12, 5302–5314.