主讲人：Roope Halonen 博后（天津大学）

题目：Modeling of gas-phase clusters and atmospheric new particle formation

时间：2023年02月24日（周五）上午9：00

地点：理工楼1226报告厅

腾讯会议ID：824 685 163

联系人：Klavs Hansen

报告摘要：

Nanoscale particles (clusters) formed from the gas phase in different settings play a key role in many fields of research. A detailed understanding of new particle formation (nucleation) is especially crucial with respect to the current environmental challenges. Via nucleation, condensable vapors in Earth’s atmosphere contribute to ambient aerosol numbers and thus affect the global radiation budget and air quality. While gas-phase nucleation has been studied over a century, a rather significant gap still exists between observations and theory. The main reasons for this are related to the peculiar physicochemical properties of the smallest clusters and the possible non-standard formation pathways. Therefore, multi-level understanding is often necessary for an adequate representation of both cluster thermochemistry and growth mechanisms in nucleation theories and large-scale aerosol models. My presentation is a general introduction to gas-phase cluster formation with a more specific focus on modeling cluster formation in molecular dynamics simulations employing classical force fields and theoretical inspection of atmospheric new particle formation by means of quantum thermochemistry.

个人简介：

Roope Halonen received a master’s degree in computational physics from the University of Helsinki (2016) and his Ph.D. (2021) from the Institute for Atmospheric and Earth System Research at the University of Helsinki working with theoretical and computational modeling of gas-phase clusters and their formation. Presently, he is employed as a postdoctoral researcher at the Center of Joint Quantum Studies at Tianjin University. His work focuses on developing accurate and applicable modeling approaches for atmospheric new particle formation and unraveling the problems related to classical nucleation theory.