Members

Dr. Jordan Cox

Dr. Jordan Cox is a postdoctoral researcher in the Lopez lab, where he is focused on the determination of reaction pathways in light-activated processes using complete active space self consistent field (CASSCF) method and theoretically characterizing of covalent supramolecular architectures for photocatalysis and organic photovoltaics. He received his B.S. in chemistry from Middle Tennessee State University. He then went on to complete his doctoral work in the filed of in situ X-ray diffraction at the University at Buffalo under Dr. Jason Benedict.

Dr. Jingbai Li

Jingbai is a postdoctoral researcher in the Lopez Lab. He is working on photochemical reaction models of exotic and strain organic molecules using complete active space self-consistent field (CASSCF) with extended-multistate second-order perturbative corrections (XMS-CASPT2) and discovery of photoreaction pathways with nonadiabatic molecular dynamics. He is also developing a machine-learning accelerated nonadiabatic molecular dynamics Python code, which aims to leverage the photodynamic timescale for interested systems in the group. He received his B.S. in chemistry from Zhengzhou University in China. He then obtained his Ph.D. in computational chemistry from Illinois Institute of Technology under the supervision of Prof. Andrey Rogachev.

Daniel Adrion

Daniel is a second-year graduate student from Stony Brook, New York. He earned a Bachelor’s degree from SUNY Binghamton in 2018. He is using quantum mechanical calculations to optimize the geometries and determine the photophysical properties of novel contorted heterocyclic polyaromatic hydrocarbons. Dan is extending these findings to covalent organic frameworks for applications in photovoltaics and heterogeneous catalysis. s

Nathalie Myrthil

Nathalie is a first-year Ph.D. student from Boston MA. In 2019, she received a Masters degree in organic chemistry from Northeastern University, while working at AstraZeneca. She is currently pursuing a Ph.D. in organic chemistry in the Lopez lab. She is identifying next-generation organic photoredox catalysts using quantum chemical calculations and validating the calculations with experiments. Nathalie is also learning to apply excited-state calculations to understand the mechanisms of photochemical electrocyclic reactions.

Patrick Neal

Patrick is a undergraduate Chemistry major from Bay Area California and Austin, Texas. He is using high-throughput calculations to guide discovery of light activated materials for photopharmacology and non-invasive cancer treatments. In addition, Patrick is also using multireference methods to understand photochemical cycloaddition reactions.

Biruk Abreha

Biruk is an undergraduate Chemistry major using machine learning and computational chemistry to predict the properties or organocatalysts. He is developing molecular descriptors to train machine learning models to accurately predict intermolecular interactions. He is taking a big-data approach to build a dataset go ground-and-excited-state structures for π-conjugated systems.

Fatemah Mukadum

Fatemah is an undergraduate chemistry major minoring in computer science and theater. She is from Long Island, NY and enjoys spreading global health awareness to her fellow peers. In the lab she uses machine learning to implement the active search method to create unique candidates for photopharmacology. In the past she has performed high-throughput virtual DFT screenings of contorted hexabenzocoronene derivatives to determine conformational preferences for organic photovoltaic devices.

Rachel Stein

Rachel is an undergraduate chemistry major at Simmons University. She is using multireference quantum mechanical calculations to determine the effects of substituents on photochemical 4π disrotatory ring closing reactions towards substituted cubanes.

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