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Author Archives: Mónica Lugo

Gagliardi Group Retreat 2025: Innovation Meets Adventure at Timber Ridge Lodge

This year, the Gagliardi Group gathered at Timber Ridge Lodge in Lake Geneva, Wisconsin, for a retreat bursting with energy, fresh ideas, and nonstop fun. We dove into big-picture brainstorming, sparked new collaborations, exchanged bold ideas, and leveled up with hands-on Machine Learning training that pushed our skills to the next level.

And when it was time to recharge? We went all in—painting masterpieces, testing our aim in archery, hiking scenic trails, splashing into the pool, and unwinding at the spa.

From laughter and creativity to breakthroughs and bold plans, this retreat was the ultimate mix of innovation and play. We left inspired, connected, and more excited than ever for the year ahead!

New Workflow Enables Multireference-Quality Machine-Learned Potentials for Molecular Simulations

Aniruddha Seal, Matthew Hennefarth, Professors Laura Gagliardi and Andrew Ferguson, and Professor Michele Parrinello (Italian Institute of Technology, Genoa) and his group have developed a workflow to train machine-learned potentials beyond Kohn-Sham DFT. At its core is WASP – the Weighted Active Space Protocol — an algorithm that assigns consistent active spaces across diverse geometries, enabling multireference-quality machine learned potentials (MLP) and overcoming a long-standing barrier to incorporating multireference electronic structure in MLPs.
Discover more about this breakthrough and related research here.

Celebrating the 2025 SURF-CAMES Fellows

We’re thrilled to celebrate the success of the 2025 Summer Undergraduate Research Fellowship in Catalysts and Advanced Materials for Environmental Solutions (SURF-CAMES) symposium!

This year’s fellows — Azeem Currah (Anderson group), Eva Devlin (Wuttig group), Caroline Hou (Wuttig group), Maya Martinez (Gagliardi group), Srimaye Peddinti (Anderson group), and Ashok Tate (Wuttig group) — shared their outstanding research with the community, marking an exciting conclusion to the first year of this summer program.

A special thank you to their mentors, who supported and guided these talented students throughout the summer — and joined them in the celebration (pictured).

We’re incredibly proud of our SURF-CAMES fellows and look forward to seeing their continued growth and contributions to science.

Adam Fouda and Aniruddha Seal Publish Their First Papers

The Gagliardi Group recently came together to celebrate an exciting milestone: the first papers by Aniruddha Seal and Adam Fouda.

We are so proud of their hard work and dedication to advancing research in our field. This achievement is a testament to their perseverance and the collaborative spirit of our group.

Congratulations, Adam and Aniruddha — the first of many to come!

Welcoming Dr. Liping Liu to the Gagliardi Group

Liping Liu earned his Ph.D. in Chemical Engineering from Virginia Tech in 2025, where he was recognized with the Outstanding Graduate Research Award. He completed his Bachelor of Engineering in Chemical Engineering at Xi’an Jiaotong University in 2018, graduating as an Outstanding Graduate and receiving the Outstanding Undergraduate Thesis Award.

Liping brings valuable research experience from his internship at Lawrence Berkeley National Laboratory (LBNL), where he worked with Dr. Jin Qian, as well as numerous distinctions, including the Richard J. Kokes Travel Award (NAM29, 2025), CRE Travel Award (AIChE Annual Conference, 2024), CATL ChemCatBio Travel Award (ACS Fall Meeting, 2023), and Co-first Student Poster Award (SECS 2022 Annual Symposium).

We are thrilled to welcome Liping and look forward to the expertise and innovative perspective he will contribute to the Gagliardi Group!

Dr. Mukunda Mandal Advances Research in Safer Hydrogen Storage and Transport

Dr. Mukunda Mandal, Professors Laura Gagliardi and John Anderson, together with Professor Omar Farha at Northwestern University, have developed a novel catalyst design that enhances the safety and efficiency of hydrogen storage and transport.  By engineering metal–sulfur active sites within metal–organic frameworks, the team has improved Liquid Organic Hydrogen Carriers (LOHCs), enabling hydrogen to be stored and delivered in a stable, liquid form compatible with existing fuel infrastructure.  This advancement marks an important step toward practical and safer hydrogen fuel technologies.

Discover more about this breakthrough and related research here.

 

Celebrating Dr. Lac Ha Nguyen

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!

Gagliardi Group and SURF-CAMES Fellows Connect on Chicago Architecture Tour

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.

Congratulations and Farewell to Dr. Ruhee D’Cunha

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!