News

Graduate student Joanna Wang led a hands-on tutorial for first-year graduate students on performing quantum chemistry calculations using a quantum computer.

We are proud to share that Dr. Lac Ha Nguyen will be joining Tennessee Tech University as an Assistant Professor of Inorganic Chemistry this fall.  This new role is a well-earned step forward, and we’re excited to see where this path leads him.

Lac Ha has been a steady and thoughtful presence in the Gagliardi Group—bringing clarity to complex problems, a deep commitment to his work, and a drive that consistently moved projects ahead.  Whether tackling challenging research questions or supporting those around him, he led by example and made a real mark on the group’s culture and progress.

As he takes this next step into a faculty position, we have no doubt he will bring the same care, curiosity, and integrity to his teaching and research.  His future students and colleagues are lucky to have him.

Thank you, Lac Ha, for everything you have contributed.  We will miss you—and we look forward to seeing all that you accomplish in this next chapter.  Congratulations!

We also took the opportunity to celebrate another exciting milestone: the publication of Younghwan Kim’s first paper—congratulations, Younghwan!

The Gagliardi Group and the inaugural SURF-CAMES (Summer Undergraduate Research Fellowship in Catalysts and Advanced Materials for Environmental Solutions) fellows came together for a summer outing aboard the First Lady Chicago Architecture Tour.

The event offered a relaxed setting for students, researchers, and principal investigators to connect, enjoy the city’s architectural beauty, and strengthen community ties beyond the lab.  It was a meaningful opportunity to foster new relationships and celebrate the spirit of collaborative science.

We’re excited to announce that Dr. Ruhee D’Cunha will be joining Millikin University in Decatur, IL, as an Assistant Professor of Chemistry this August.  This opportunity marks a new chapter in her career and reflects the dedication, talent, and enthusiasm she brought to her work during her time with us.

Last week, we came together to celebrate Ruhee’s accomplishments and send her off with a warm and heartfelt farewell.  It was a chance to reflect on her many contributions to the group—her thoughtful approach to science, her supportive presence, and the curiosity she brought to every discussion.

Ruhee’s transition to a faculty position is an exciting and well-earned milestone.  While we’ll certainly miss having her around, we look forward to seeing the great things she’ll do in her new role.

Congratulations again, Ruhee—and best of luck on this next adventure!

The Gagliardi Group is excited to welcome six first-year graduate students for summer research rotations.  Throughout the summer, the students will work closely with mentors in the group to explore cutting-edge topics in theoretical chemistry and develop valuable research skills.

The students and their mentors are:

• Yi Deng, mentored by Dr. Matthew Hermes

• Aidan Lindsay, mentored by Aniruddha Seal

• Jeffrey Peralta Tejada, mentored by Bhavnesh Jangid

• Kevin Rapp, mentored by Shreya Verma

• Whitney Short, mentored by Joanna Wang

• Tim Strang, mentored by Aniruddha Seal & Shreya Verma

We’re thrilled to have them join us and look forward to a productive and inspiring summer!

Members of the Gagliardi Group, including Bhavnesh Jangid, Joshua Zhou, Valay Agarawal, and Jacob Wardzala, have won the AI+Science Hackathon Challenge. This challenge focused on characterizing materials using X-ray photoelectron spectroscopy (XPS). To tackle the problem, they employed quantum chemistry–motivated descriptors to train a message-passing neural network (MPNN), enabling the prediction of core-binding energies with sub-eV accuracy compared to experimental values.

For more details, check out the full news coverage here

Please join us in congratulating our newest Ph.D.!  Matthew’s hard work, creativity, and commitment to science have led him to this exciting achievement.  In July, he will take the next step in his journey as a Quantum Solutions Computational Chemist at PsiQuantum in Palo Alto, California, where he will contribute to advancing quantum technologies for chemical innovation.

Congratulations, Dr. Hennefarth!

It is with great joy that we celebrate Dr. Matthew Hennefarth for his successful PhD defense in the Department of Chemistry at the University of Chicago on June 6, 2025!

Matthew’s dissertation, “Linearized Pair-Density Functional Theory”, introduces a new approach to electronic structure theory.  He developed the method from the ground up, designing the theoretical framework, implementing it in code, and applying it to explore excited-state reactions and dynamics.

Next month, Dr. Hennefarth will begin an exciting new chapter as a Quantum Solutions Computational Chemist at PsiQuantum in Palo Alto, California, where he will help advance the frontier of quantum technologies for real-world chemical applications.

Congratulations, Dr. Hennefarth!  We’re excited to see the amazing impact your work will make in the future!

We are thrilled to congratulate Dr. Arturo Sauza de la Vega on the successful defense of his PhD thesis, “Multireference Studies of Transition Metal and Actinide Containing Molecular Systems”, at the University of Chicago’s Department of Chemistry.  Arturo defended his dissertation on June 5, 2025, presenting a seminar that showcased his innovative work on multiconfiguration pair-density functional theory and its application to molecular qubits.

Next, Arturo will join the University of Iowa as a postdoctoral scholar in the research group of Professor Bess Vlaisavljevich, where he will focus on actinide-containing molecular systems using relativistic four-component computational methods.

Congratulations once again, Dr. Sauza de la Vega!  We are excited to see where your research leads next!

We are proud, and a bit heavy-hearted, to bid farewell to Dr. Mukunda Mandal as he embarks on an exciting new chapter in his career.  Mukunda has accepted a position as a Computational Chemist at ExxonMobil in Bangalore, a fantastic opportunity that speaks to his talent, dedication, and the meaningful contributions he’s made during his time with us.

Yesterday, we gathered to celebrate Mukunda’s achievements and send him off with our warmest wishes.  In true Mukunda fashion, he surprised us all with a deeply thoughtful gift: personalized mugs, each one uniquely tailored to the recipient.  It was a wonderful and touching gesture, reminding us of the genuine connections he built within the group and how much his presence will be missed.

Mukunda, thank you for everything you’ve brought to the Gagliardi Group, scientifically and personally.  We’re excited to follow your journey at ExxonMobil and beyond.  Please stay in touch and rest assured, we’ll treasure our mugs as a daily reminder of you!

Congratulations and best wishes on your next adventure!

How Will Quantum Computing Reshape the Future of Chemistry?

In a thought-provoking panel at the ACS Spring 2025 conference, renowned chemist Prof. Laura Gagliardi dove into the transformative power of quantum computing—and the ethical questions it raises.  From ultra-precise molecular simulations to the responsibilities around data use, this C&EN Future of Chemistry session is a must-watch for scientists, innovators, and the quantum-curious.

Watch the Instagram post here.

Last week, we gathered to celebrate Dr. Matthew Hermes and his well-deserved appointment as a Research Assistant Professor in the Department of Chemistry.

It was a wonderful occasion to recognize Matthew’s achievements and contributions to the group.  We are grateful for his dedication and expertise and look forward to his continued impact on our research.