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COMPUTATION, MODELLING AND THEORY

听is studying the theoretical and quantum chemistry of energy transfer, fundamental to the conversion of light to electrical energy.听Ryan MacDonell's research is focused on the the theoretical simulation of photochemistry with classical and quantum computers, particularly for internal conversion processes where common approximations in quantum chemistry break down.听Jesse Maassen鈥檚 focus is on theory and simulation of electro-thermal transport and energy conversion.听听is engaged in the computational and theoretical studies of solids. The picture shows the electron density in the Mott-Hubbard insulator LaTiO₃, for which we could reproduce the nuclear quadrupole resonance spectra and study the orbital ordering.听 studies the long time dynamics using transition state theory with applications in Li-ion batteries, electrocatalysis and corrosion.听

MATERIALS CHARACTERIZATION

Jeff Dahn听uses ultrahigh precision coulometry, in conjunction with analytical chemistry techniques and x-ray photoelectron spectroscopy to characterize battery lifetimes and characterize reaction products on electrode surfaces and within electrolytes to determine mechanisms of capacity loss.

studies the long time-scale dynamics using transition state theory with applications in Li-ion batteries, electrocatalysis and corrosion.听

Ulrike Werner Zwanziger听and听听use solid-state NMR to address a wide range topics. The听Nuclear Magnetic Resonance Research Resource (NMR-3)听houses several NMR spectrometers capable of studying both liquid and solid samples.

Mary Anne White听has broad interests in materials characterization and uses the Physical Property Measurement System (PPMS) to make rapidly characterize thermal (heat capacity, thermal conductivity), electrical and magnetic properties of materials.

听use a combination of SQUID magnetometry, magnetoresistance, Hall effect and x-ray measurements in-house to characterize samples of nanomagnetic materials, as well as neutron reflectometry, small angle neutron scattering and synchrotron measurements.

's group employs facilities for thin film deposition (UHV, spin casting, RF/DC sputtering, and bell jar evaporators), surface science characterization of films and interfaces (XPS, UPS and SIMS), and electro-optical characterization of devices.

To perform research on structural elements, such as concrete beams, concrete columns, sandwich panels, and FRPs,听Pedram Sadeghian's group uses tools such as impact testers, and test frames, such as the 100 kN Instron test frame.

Scanning Electron Microscopy is widely used by many researchers including听,听,听,听,听Kevin Plucknett,听,听Jeff Dahn,听Mark Obrovac,听,听,听Gordon Price,听Pedram Sadeghian,听听and听.