Quantum Chemistry for Materials Science
October 20, 2022
Welcome to our new group member, Anthony Nguyen! Anthony is a first-year Ph.D. student and he received his B.S. in Psychology and Chemistry at Portland State University.
October 13, 2022
Lakota Amore joined our group as an undergraduate researcher. He is a senior undergraduate student in UCSC Chemistry. Welcome Lakota!
September 26, 2022
Welcome to our first student in the group, Karim Aljamal! Karim is a first-year Ph.D. student and he received his B.S. in Chemistry at UCSC.
September 9, 2022
Xiao gave a talk "Quantum Chemistry for Materials Science: Harnessing the Power of Wavefunction Theory" at the UCSC Chemistry & Biochemistry Fall Conference.
August 15, 2022
The Wang Group website is now live!
July 1, 2022
Xiao joined the Department of Chemistry and Biochemistry at UCSC. Go slugs!!!
We are a theory group driven by intriguing phenomena in materials science. We develop and apply quantum-mechanical methods to study problems in surface chemistry, molecular crystals, and strong light-matter interaction.
We study chemical phenomena that occur on surfaces using computational tools. Leveraging the locality of active sites, we aim to develop efficient methods to elucidate surface reaction mechanisms and accelerate catalyst discovery.
Molecular crystals consist of discrete molecules held together by weak, non-bonded interactions, which make their simulations challenging. We study their chemical and physical properties with reliable computational tools for applications in drug development, organic semiconductors, and photovoltaics.
Strong Light-Matter Interaction
Strong interaction between matter and confined light results in the formation of half-light half-matter states called polaritons, creating new routes to control chemical reactions. We are interested in studying cavity-modified chemistry of organic molecules, investigating low-dimensional materials in cavities, and developing multicomponent quantum chemistry methods for polaritons.
Research Fellow, Flatiron Institute ('19-'22)
Postdoc, Virginia Tech ('16-'18)
PhD, University of Georgia ('16)
BS, Beihang University ('12)
Our team is looking for postdocs, graduate students, and undergraduate students who are passionate about theoretical and computational chemistry.
We are committed to building an inclusive environment and we welcome candidates from diverse backgrounds. Email Xiao for more information if you are interested in our team.
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