“化学反应与机制”系列学术报告
报告题目：Decisions from Data-Predictions for Organometallic Catalysis
报告人：Natalie Fey 副教授
英国布里斯托大学化学学院
时间：2023年5月23日 15:30-17:00
地点：学校会议中心一楼会议室第二会议室 ZOOM: https://bristol-ac-uk.zoom.us/j/91961790733?pwd=U0sxZzVmRU1hUVlUOENMZmpFNTROdz09&from=addon Meeting ID: 919 6179 0733 Passcode: 442282
报告摘要：Computational studies of homogeneous catalysis play an increasingly important role in furthering (and changing) our understanding of catalytic cycles and can help to guide the discovery and evaluation of new catalysts.While a truly “rational design” process remains out of reach, detailed mechanistic information from both experiment and computation can be combined successfully with suitable parameters characterising catalysts and substrates to predict outcomes and guide screening. In this presentation, Professor Natalie will use examples drawn from our recent work, including the development of a reactivity database, to illustrate this approach.
报告人简介：Professor Natalie Fey is an Associate Professor in Chemistry at the University of Bristol. Her group use computational approaches as a driver for scientific discovery, with a particular focus on organometallic catalysis. She is German, but lives and works in the UK, completing a B.Sc. (Chemistry and Economics, 1997) and a Ph.D. (2001) at Keele University, followed by postdoc positions with Rob Deeth at Warwick University and with Guy Orpen and Jeremy Harvey, and later also Guy Lloyd-Jones, at Bristol. She was awarded a prestigious EPSRC Advanced Research Fellowship in 2007 to start her independent career, worked with CatSci on ligand design and was appointed as lecturer in 2015, promoted to senior lecturer in 2018 and to associate professor in 2021. She is the programme director for Bristol’s programmes in Chemistry with Computing and an Associate Editor for Organometallics.