Ariadna Fernandez, a senior computer science student at University of Illinois at Chicago, visited the Gagliardi group during the summer of 2022 as a Chicago Quantum Exchange (CQE) Open Quantum Initiative Fellow. Her latest blog reflects on her experience from discovering the opportunity on Discord to running quantum simulations. It was a pleasure having you with us, Ariadna!
Category Archives: Research and Publications
Gagliardi group selected as QNEXT’s Images of the Week
The Gagliardi group’s work, as part of the Next Generation Quantum Science and Engineering (Q-NEXT) project, has been selected as the “Images of the Week”. Established in 2020, Q-NEXT brings together roughly 100 experts from three national laboratories, 10 universities and 14 technology companies to develop the science and technology for controlling and distributing quantum information, enabling pivotal discoveries and U.S. competitiveness in quantum science and engineering. Bravo!
Catalyst Design for Decarbonization Center (CD4DC) Kick-Off Meeting
The Catalyst Design for Decarbonization Center (CD4DC), a U.S. Department of Energy-sponsored Energy Frontier Research Center (EFRC), is based at the University of Chicago. PIs, senior scientists, junior researchers, and the Scientific Advisory Board gathered at The Study at University of Chicago for the Kick-Off Meeting on October 10 -11, 2022. Let the science begin!
The Catalyst Design for Decarbonization Center (CD4DC) has been awarded to UChicago and Laura Gagliardi will serve as Director.
Laura is the Director of the Catalyst Design for Decarbonization Center (CD4DC), a Department of Energy-sponsored Energy Frontier Research Center (EFRC). The U.S. Department of Energy has awarded researchers at the University of Chicago $12.5 million to advance work aimed at finding innovative solutions for long-lasting hydrogen energy research — potentially offering a zero-emission alternative to fossil fuels. Based at the University of Chicago, the CD4DC will partner with researchers at Argonne National Laboratory, Clemson University, Northwestern University, Pacific Northwest National Laboratory, Stony Brook University, and the University of Illinois at Chicago, and the University of Minnesota. Read the article here.
Laura reflects on the past six months of serving as JCTC Editor-in-Chief
Laura shares what is next for the Journal of Chemical Theory and Computation and reflects on serving as Editor-in-Chief in the journal’s recent editorial. The article highlights emerging topics that will receive JCTC’s support and the journal’s societal responsibilities beyond knowledge generation and technological innovation. Read more here.
The Gagliardi Group receives $1.8M grant from DOE
The Gagliardi Group is excited to receive a $1.8 million grant over three years from the U.S. Department of Energy to advance the development of sophisticated modeling and simulation software for the chemical sciences.
Saumil Chheda and WooSeok Jeong published in Science
Graduate student, Saumil Chheda, and former postdoc, WooSeok Jeong, have performed calculations that show how water molecules attach inside the framework of a metal-organic framework, MOF-303, at the atomic level.
Read their paper in Science! This video displays the outcome of this research. This video displays the outcome of this research:
Dr. Matt Simons successfully defended his doctoral thesis.
Dr. Matt Simons successfully defended his doctoral thesis with the title “C-H Activation via Direct Oxidative Routes over Molecular Metal-oxo Species Situated in Metal-Organic Frameworks.” Matt has accepted a position at the Dow Chemical Company as a Senior Research Specialist in Packaging, Specialty Plastics and Hyrdocarbons R&D, Process and Catalysis, New Process Technology Development Department located in Freeport, TX.
Dr. Matt Simons successfully defends his thesis
Dr. Matt Simons successfully defended his doctoral thesis with the title “C-H Activation via Direct Oxidative Routes over Molecular Metal-oxo Species Situated in Metal-Organic Frameworks.”
Matt has accepted a position at the Dow Chemical Company as a Senior Research Specialist in Packaging, Specialty Plastics and Hyrdocarbons R&D, Process and Catalysis, New Process Technology Development Department located in Freeport, TX.
Debmalya Ray and Hung Pham successfully defend their PhD!
Debmalya Ray and Hung Pham have both successfully defended their PhD. Bravo, Debmalya and Hung!