Theory and Computation

	Jun Allard Cells are nanometer-scale problem-solving machines. The broad goal of the Allard group is to understand how components inside cells push, pull, bend and flow together, and how this helps cells perform tasks and exploit problem-solving strategies. We use mathematical and computational modeling, in collaboration with experimentalists at UC Irvine and around the world. Our primary focus is the cell-cell interface that dynamically forms between immune cells (T cells) and other cells, where forces and stresses on surface molecules have been demonstrated to affect immunological decision-making. The mathematical models we develop involve stochastic partial differential equations and allow us to use experimentally accessible information, like fluorescence intensities, to infer mechanical information like the tension on receptors and ligands
	Ioan Andricioaei Theoretical and computational topics at the interface between structural molecular biology and physical chemistry. We apply numerical simulations and modeling methods to describe biologically important molecular processes in a variety of biological systems such as DNA-binding machines.
	Shane Ardo The central theme of the Ardo Group’s research program is to understand and control photoinduced reaction mechanisms at interfaces, with the goal of maximizing energy-conversion efficiency for realistic applications. The Ardo Group will design and control interfacial asymmetry through synthesis, engineering, and modeling of the molecule–material structures for solar energy conversion. The photoelectrochemical and photophysical properties of hard and soft material interfaces will be manipulated via molecular functionalization, electrostatic engineering, and physical protection. The results of each study will be pertinent to fundamental electrochemistry and charge-, energy-, and ion-transfer phenomena.
	Kieron Burke We are a small interdisciplinary group of research chemists and physicists, dedicated to spreading the use of density functional theory (DFT) throughout the known universe, but particularly in chemistry, physics, materials science, and nanoscience. We mostly develop methodology, but also collaborate with excellent groups both within and beyond UCI on novel applications. Some recent and ongoing projects include electron-molecule scattering using time-dependent density functional theory, atoms and molecules in strong laser fields, and transport through single organic molecules.
	Carter T. Butts My group’s research centers on mathematical, computational, and statistical modeling of systems with complex patterns of dependence. We have a particularly strong focus in the area of networks, with an emphasis on sampling and network inference, network dynamics, models for graph populations, and exponential family random graph models (ERGMs). We also work on various problems in computational and Bayesian statistics, including Bayesian model integration for prediction of protein properties related to aggregation propensity and statistical models for protein chemical shifts. More broadly, we are interested in developing and applying Bayesian and/or network analytic methods to problems in physical, biological, or other settings that have not been studied using these techniques.

Prof. Qi Song joins the ChAMP Program

Spring 2025

Qi Song is an Assistant Professor of Materials Science and Engineering

Song’s research interests lie within the discovery of low-dimensional quantum materials through atomic-scale synthesis, spectroscopy characterization, and device development leveraging interface states and emergent quantum effects.

https://engineering.uci.edu/users/qi-song

Prof. Ty Christoff-Tempesta joins the ChAMP Program

Fall 2024

Ty Christoff-Tempesta is an Assistant Professor of Materials Science and Engineering

Prof. Christoff-Tempesta specializes in molecular design to engineer hierarchical properties in soft matter systems, combining organic chemistry, molecular self-assembly, and polymer science to create innovative materials. His group focuses on advancing sustainable materials with circular life cycles, derived from renewable resources, and designed for recyclability or upcyclability.

Current research activities include (1) developing new molecular design principles for sustainable materials, (2) using electron paramagnetic resonance (EPR) spectroscopy to study nanoscale dynamics and establish design rules for material behavior, and (3) designing functional supramolecular materials that self-organize and scale from nanoscale to macroscale. The lab’s research aims to address critical global challenges, such as providing sustainable alternatives to plastics, improving environmental remediation, and advancing technologies for energy and healthcare applications.

https://faculty.sites.uci.edu/tctlab/

Welcome 2024 ChAMP students!

Prof. Lorenzo Valdevit joins the ChAMP Program

Summer 2024

Lorenzo Valdevit is a Professor and Chair of Materials Science and Engineering

Prof. Valdevit works in the general areas of mechanics of materials, structural materials science and advanced manufacturing, developing analytical, numerical and experimental techniques across multiple length scales. Among his primary research goals are the optimal design, modeling, fabrication and experimental characterization of metamaterials and structures with unprecedented combinations of properties. Current areas of interest are the investigation and exploitation of beneficial size effects in nano-architected materials, the non-linear design of periodic and disordered mechanical metamaterials, and the understanding of the processing / microstructure / properties relations in additive manufacturing (in particular, two-photon polymerization Direct Laser Writing, Direct Ink Writing, Laser Powder Bed Fusion and Cold Spray Deposition).

https://valdevit.eng.uci.edu

Prof. Alvin Yu join the ChAMP Program

Summer 2024

Alvin Yu is an Assistant Professor of Physiology & Biophysics

Many cellular processes that are considered the hallmarks of living systems undergo physical and chemical processes ranging from atomic-scale phenomena, including the quantum chemistry of bond cleavage, to micrometer-sized processes such as the self-assembly of proteins. These processes are innately multiscale and span time and length scales from the molecular to mesoscopic. Alvin Yu’s research group investigates the mechanisms by which biological processes function and elucidates them using theory, computational modeling, and simulations.

https://faculty.uci.edu/profile/?facultyId=7131

Prof. Matthew Sheldon joins the ChAMP Program

Fall 2023

Matthew Sheldon is an Associate Professor of Chemistry

Sheldon’s research group studies fundamental questions about optical energy conversion relating to plasmonic and inorganic nanoscale materials. Experiments are principally designed to identify and optimize unique nanoscale phenomena that are useful for solar energy, as well as related opportunities at the intersection of nanophotonics and chemistry, for broad application beyond the scope of solar energy. Current research activities explore how nanofabricated materials can provide systematic control over the thermodynamic parameters governing optical power conversion. By controllably shaping, confining, and interconverting the energy and entropy of a radiation field, several different classes of light-powered heat engines become possible.

Prof. Robert Nielsen joins the ChAMP Program

Fall 2023
Robert Nielsen is an Assistant Professor of Chemical and Biomolecular Engineering.
Nielson’s research interests include quantum mechanical, microkinetic, and data modeling to understand and control chemical reactivity. His group has recently begun a general effort to replace screening in computational materials design problems with optimization. The process combines some representation of Schrodinger’s equation, stat mech, kinetic modeling, traditional chemistry ideas and data science.
https://engineering.uci.edu/users/robert-nielsen

Prof. Sabee Molloi joins the ChAMP Program

Summer 2023

Sabee Molloi is a Professor & Vice Chairman of Research, Radiological Sciences

Molloi’s research interests include quantitative aspects of medical x-ray imaging and its applications to cardiac and breast imaging.

Some of his current projects include:

Spectral breast CT
Myocardial blood flow measurement using CT and its applications to coronary artery disease
Pulmonary blood flow measurement using CT and its applications to lung disease
Quantification of myocardial mass at risk
Detection of ischemic stroke using dual energy CT

https://faculty.uci.edu/profile/?facultyId=3212

2023 Summer BBQ

ChAMP ushered in the new class at our annual summer BBQ on July 14th. Welcome students!

Prof. Elizabeth Lee joins the ChAMP program

Fall 2022

Elizabeth lee is an Assistant Professor of Materials Science and Engineering.

Lee’s research interests lie within the broad field of computational materials and chemistry, particularly electronic and chemical processes in solid-state and nanostructured semiconductors. Her research aims to bring fundamental understanding of how the dynamical arrangement of atoms and their electronic structure impact the material-wide properties during their synthesis, processing, and device operating conditions.

Current research activities focus on three areas: (1) quantum point defects in semiconductors, (2) solid-state interfaces in materials for energy applications, and (3) methodological developments for materials modeling using machine learning approaches.

(https://engineering.uci.edu/users/elizabeth-my-lee)