Category Archives: People and Events

Professor Laura Gagliardi delivered the opening plenary lecture, titled “Computational Discovery of Metal-Organic Frameworks for a Changing World,” at the Second ACS Smart Materials and Engineering International Conference on October 18 in Dalian, China.  A leading figure in computational and theoretical chemistry, Gagliardi’s presentation highlighted the pivotal role of computational methods in advancing material discovery.  In addition to her lecture, Professor Gagliardi also represented the Journal of Chemical Theory and Computation, where she serves as Editor in Chief.

The conference, organized in collaboration between the American Chemical Society (ACS) and Dalian University of Technology, featured cutting-edge developments in materials science, chemical engineering, and the application of AI in chemistry.

A special issue of ACS Applied Materials & Interfaces will be published, showcasing the key research presented during the event.

Learn more here.

The CCTCh Seminar Series recently welcomed Professor Donald Truhlar from the University of Minnesota, who delivered an enlightening presentation on “Multiconfiguration Nonclassical-Energy Density Functional Theory” (MC-NEFT).  The seminar drew enthusiastic participation from students and faculty alike, eager to learn from one of the leading figures in theoretical chemistry.

In addition to the seminar, Professor Truhlar spent time with the Gagliardi Group, whose research focuses on electronic structure and multiconfigurational methods.  This meeting provided a unique opportunity for students to engage with Professor Truhlar on a personal level, exchanging ideas and discussing challenges in their own research.

We are thrilled to announce that Ray Zhu has been selected for the NSF-NRT Graduate Training Award in AI-Enabled Molecular Engineering of Materials and Systems for Sustainability (AIMEMS).

Ray will be joining an elite cohort of students at the Pritzker School of Molecular Engineering, University of Chicago, starting in Autumn 2024.  As part of this award, Ray will receive a $2,500 research allowance and engage in cutting-edge research, professional skill-building, and interdisciplinary collaboration.  The AIMEMS program uniquely prepares students to address global sustainability challenges by integrating molecular engineering, artificial intelligence, and social science.  Through this program, Ray will collaborate with academic, industry, and research leaders, gaining access to world-class facilities like Argonne National Laboratory.

Congratulations, Ray!

Congratulations to Abhishek Mitra on joining PsiQuantum as a Quantum Solutions Computational Chemist!  At PsiQuantum, Abhishek will focus on integrating fault-tolerant quantum computing with computational physics and chemistry to pioneer quantum computer-aided materials design.  His role involves conducting research, developing quantum workflows, and collaborating with experts to solve complex materials and chemistry problems using advanced quantum algorithms.

Best of luck, Abhishek, on this exciting new journey!

Congratulations to Dr. Hilal Daglar on receiving the Academic Excellence Award from Koç University.  This recognition highlights her significant achievements and dedication.  Well deserved!

The Gagliardi Group recently celebrated Leon Otis at a farewell party as he prepares to embark on a new journey.  Leon will be joining Rice University as a postdoctoral researcher in the group of James Shee.  We are excited to see him begin this new chapter and wish him continued success in his future endeavors!