The Gagliardi Group congratulates Joanna Wang for successfully passing her candidacy exam! Joanna’s work focuses on “Unraveling chemical processes through hybrid quantum-classical algorithms with localized wave functions.” Her primary research interests are developing hybrid algorithms for multireference theory and studying chemical reactions with multireference methods. We eagerly anticipate her continued success and contributions to the field. Well done, Joanna!
Stay up to date with the happenings of the Gagliardi group!
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|The Gagliardi Research Group welcomes Ruijie (Ray) Zhu to the team.
|The Gagliardi Group welcomes, Romit Chakraborty, new Staff Researcher in Quantum AI, to the group.
We are thrilled to introduce our newest Graduate Students to the Gagliardi Research Group: Ida Vaghefi, Ruohe (Brian) Wang, and Aniruddha Seal!
Pictured: Abhishek Mitra, Shreya Verma, Mukunda Mandal
Congratulations to Abhishek Mitra and Shreya Verma for receiving Windt Graduate Student Travel Awards and to Mukunda Mandal for receiving the Kharasch Postdoctoral Travel Award.
|The Gagliardi Group congratulates Bhavnesh Jangid (left) and Jacob Wardzala (right) on their achievement in passing their candidacy exams! Bhavnesh’s work focuses on the “Development of quantum embedding based methods for efficient and accurate prediction of the core-level spectroscopy” and Jacob’s focuses on “Automated active space selection for systematic multireference calculations in reactivity”. The Gagliardi group wishes you both continued success as you progress in your academic endeavors.
|The Gagliardi Group wishes farewell to Dr. Arup Sarkar as he takes the next steps in his career. We wish you all the best for your future endeavors and have no doubt that you will achieve great success!
|The Gagliardi Group celebrates not just one but two group members! We are wishing a very Happy Birthday to Valay Agarawal, our brilliant PhD student, and Soumi Haldar, our dedicated postdoctoral researcher! Here’s to many more moments of working well together and achieving great things!
|It’s with mixed emotions that we bid farewell to our brilliant colleague, Gautam Stroscio, as he embarks on a new adventure. After making valuable contributions to the Gagiardi Research Group, Gautam is taking his talents to the Lawrence Livermore National Laboratory.
|The Gagliardi group congratulates Shreya Verma for achieving honorable mention in the 2022-23 Pritzker School of Molecular Engineering Outstanding Teaching Assistant Awards. Shreya has earned this recognition for her exemplary service as a Teaching Assistant for the course MENG 25510 – Quantum Molecular and Materials Modeling.
|Join us in celebrating the graduation of Saumil Chedda and Benjamin Yeh from the University of Minnesota! Saumil’s next position will be as a Postdoctoral Fellow in Climate Change, Machine Learning, and Advanced Materials at the Bakar Institute of Digital Materials for the Planet in University of California Berkeley, under the guidance of Professor Omar Yaghi. Ben’s next position will be as a Process Development/Scale-Up Engineer at ExxonMobil in Baytown, Texas.
|The Gagliardi Research Group enjoy an evening of camaraderie and pin-crashing fun as they slipped on their bowling shoes in an unforgettable outing of friendly competition! Strikes, spares, and the occasional gutter ball brought cheers and laughter echoing through the bowling alley as friendships strengthened and new bonds formed. A successful team not only thrives on shared academic pursuits but also on shared experiences of joy and amusement.
Gagliardi group welcomes four first-year graduate students for summer rotations. The students will be paired with mentors in the Gagliardi Group to gain research experience in theoretical chemistry.
- Serina Tressler, mentored by Dr. Mukunda Mandal
- Alex Hoehn, mentored by Valay Agarawal
- Brian Wang, mentored by Shreya Verma
- Aniruddha Seal, mentored by Matthew Hennefarth
|The Gagliardi Group bids a bittersweet farewell to Dr. Paul Calio as he embarks on a new chapter in his career. We express our appreciation for his work and positive influence.
|Alfreda Grace joins the Gagliardi Group as its new Managing Director.
Matthew will use it to attend the 17th INTERNATIONAL CONGRESS OF QUANTUM CHEMISTRY. https://icqc2023.org
Where he will present a poster on his research on linearized pair-density functional theory.
Way to go Matt!
Daniel studies the automation of multiconfigurational methods for high-throughput computation, and uses this data to further computational methodologies with data science and machine learning. He also works with experimentalists to accelerate data-driven improvement in transition metal catalysis.
Mukunda Mandal has joined the group as a postdoc, most recently a postdoc at Max Planck Institute for Polymer Research, Germany
He is interested in Electronic Structure, Catalysis, and Reticular Frameworks. Welcome Mukunda!
Graduate student Matthew Hennefarth has received a National Science Foundation (NSF) Graduate Research Fellowship. This award will support him for the next 3 years as he works on developing multi-state pair-density functional theory for non-adiabatic molecular dynamics. Congratulations!
You can find out more about the award here: https://www.nsfgrfp.org.
Laura and graduate student Daniel King collaborated with the group of Max Delferro at Argonne National Laboratory to develop a better method for finding novel MOF catalysts, which have the potential to speed up industrially relevant chemical reactions. Increasing the efficiency of catalysts is critical for developing sustainable solutions and promoting decarbonization. The group used machine learning algorithms combined with high-throughput experimentation to screen different metals, temperatures, and pressures applied to the MOF NU-1000 for catalytic activity. After 2,000 reactions, the collaboration used this process to ultimately improve the yield of these chemical reactions from 0.4 percent to 24.4 percent. Read the article here.
Ariadna Fernandez reflects on her experience as a Open Quantum Initiative Fellow with Gagliardi Group
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!