Phys Chem/Chem Phys Seminar

Quantization effects in semiconductor nanostructures and singlet fission in molecular chromophores for photovoltaics and solar fuels

When
-

Abstract: Hot carriers in semiconductors are electrons and/or holes that have energies greater than carriers that reside at the top and bottom of the conduction and valence bands, respectively; the latter carriers are in equilibrium with the lattice and have a temperature equal to the lattice (ambient) temperature. Hot carriers are created in semiconductors upon the absorption of photons with energies greater than the bandgap. The excess energy above the bandgap energy is in the form of kinetic energy.

In situ transient absorption spectroscopy during materials formation

When
-

Abstract: Molecules, polymers, and nanocrystals can form the active layer in electronic devices such as photovoltaics and light-emitting diodes. Their electronic structure and excited state dynamics dictate their function and suitability for these applications. Transient absorption (TA) spectroscopy is used to measure these properties, and has provided remarkable insights into the behavior and function of electronic materials.

Chemistry in multiple phases and at interfaces in the contemporary and ancient Earth’s atmosphere.

When
-

Abstract: Inspired by atmospheric measurements, which have established that atmospheric chemistry occurs in many phases and at interfaces, my group explored the unique reaction environments presented by planetary atmospheres. In this presentation, the special morphological and chemical properties of organic films on aqueous solutions will be discussed with reference to atmospheric aerosols, sea surface microlayers, cloud and fog droplets.

Stochastic Electronic Structure Beyond Energies: Temperature, Magnetism, and Dynamics in Auxiliary Field Quantum Monte Carlo

When
-

Most many body methods for solving the Schrodinger Equation - perturbation theory, coupled cluster theory, Green’s function theories, etc. - are deterministic in nature. While deterministic methods can be highly accurate, many scale steeply with system size. In this talk, I will discuss a suite of new quantum Monte Carlo methods, Auxiliary Field Quantum Monte Carlo methods, that my group has recently developed.