Institute Affiliate
Associate Professor
Kyoto University
Japan
Daniel Packwood is an associate professor at Kyoto University and a principal investigator at the Institute for Integrated Cell-Material Sciences (iCeMS). He obtained his PhD from the Department of Chemistry at the University of Canterbury in 2010, under the supervision of Leon Phillips. From 2010 – 2012 he was a JSPS Postdoctoral Fellow in the Quantum Chemistry Laboratory (Tanimura laboratory), Department of Chemistry, Graduate School of Science, Kyoto University. From 2012 – 2016 he was an assistant professor in the Mathematical Sciences Unit (Nishiura-Kotani laboratory) at the Advanced Institute for Materials Research (AIMR) at Tohoku University. From 2014 – 2018 he held a concurrent appointment as a PRESTO researcher at the Japan Science and Technology Agency (JST), working in the Collaborative Mathematics project. He started his current position in 2016. Since 2021, he has been co-director of the Center for Integrated Data-Material Sciences (iDM), a Kyoto University On-Site Laboratory hosted by the MacDiarmid Institute.
Daniel is a theoretical chemist. His work combines atomistic simulations, data science, and mathematical modeling to study functional materials and to design new ones. He is particularly interested in organic semiconductors, molecular assemblies, and porous coordination polymers – important functional materials composed of molecular building blocks.
His work currently aims to understand dynamical processes within these materials, including energy and charge carrier transport in organic semiconductors, charge separation processes at semiconductor interfaces, information processing and phase separation in molecular aggregates, and gas transport mechanisms in metal-organic frameworks. Understanding these processes on an atomistic level will enable the design of new functional materials for energy generation, climate change mitigation, and nanomedicine.
Computation and theory can teach us how to design materials atom-by-atom to realize novel functions and properties.
Associate Professor Daniel Packwood