Recent Dissertations

Han Yang, "Electron-Electron and Electron-Phonon Interactions in Semiconductors and Insulators from Many-Body Perturbation Theory" (2021)

He Ma, "Electronic Structure of Molecules and Materials from Quantum Simulations" (2020)

Arin Greenwood, "First Principles Calculations of Nanomaterials for Renewable Energy" (2020)

Marcello Puligheddu, "Computational Predictions of the Thermal Conductivity of Solids and Liquids" (2020)

Viktor Rozsa, "First Principles Studies of Aqueous Systems at Ambient and Extreme Conditions (2020)

Nicholas Brawand, "The Optoelectronic Properties of Nanoparticles From First Principles Calculations" (2017)

Quan Wan, "First Principles Simulations of Vibrational Spectra of Aqueous Systems" (2015)

Tuan Anh Pham, "Predictive Theory and Modelling of Heterogeneous Interfaces" (2014)

Yuan Ping, "Electronic Excitations in Light Absorbers for Photoelectrochemical Energy Conversion" (2013)

Yuping He, "Theoretical Study of Heat Transport in Si-based Ordered, Disordered and Nanostructured Bulk Materials" (2011)

We gratefully acknowledge support from DOE-BES, NSF-DMR, Chicago-MRSEC, CHIMaD, AFOSR and ONR.