Churchill students explore cutting-edge computational Chemistry in the US

A pair of young people positioned in front of a contemporary structure

Last summer, two Churchill NatSci students, Asmita Niyogi and Tomas Heger, travelled to the US to take part in research internships thanks to a partnership between Churchill College and the Winston Churchill Foundation.

Hosted at Brown University’s Department of Chemistry under the guidance of Professor Brenda Rubenstein, Asmita and Tomas tackled advanced projects at the intersection of computational chemistry, machine learning, and quantum computing, gaining invaluable academic and personal experiences.

Pioneering Projects in Computational Chemistry

Asmita’s research focused on transfer learning approaches to calculate correlated reaction dynamics using quantum computing. The 2024 Nobel Prizes in Chemistry and Physics highlight the importance of AI in computational science. Asmita’s project aligned with these advances, focusing on transfer learning approaches to calculate correlated reaction dynamics using quantum computing. The internship provided Asmita with an indispensable opportunity to develop skills in high-performance computing, electronic structure calculations, machine learning, and Python scripting, and the experience cemented her decision to pursue a PhD in computational chemistry.

Meanwhile, Tomas worked on adapting the SALTED/MetalWalls code – a machine-learning-based computational tool – for use with quantum computing algorithms. His goal was to create a new chemical model of battery interphase with lower computational costs, potentially advancing material science and energy research. Reflecting on his experience, Tomas said, “This exchange gave me the confidence to tackle ambitious projects in computational chemistry while also deepening my understanding of interdisciplinary approaches.”

Both students emphasised the importance of working in Professor Rubenstein’s dynamic research group. Weekly meetings and collaborative discussions provided invaluable mentorship, while exposure to diverse academic perspectives enriched their understanding of cutting-edge research.

Personal and professional growth

Asmita and Tomas both relished the opportunity to develop new technical skills while navigating the challenges of their respective projects. For Asmita, presenting her findings at a poster symposium honed her communication abilities. “Scientific presentation is an incredibly important part of academic research,” she noted, adding that sharing her work with others strengthened her confidence and clarity as a researcher.

Tomas highlighted the technical growth he achieved through replicating the SALTED code and integrating it into Brown’s preexisting computing framework, explaining that “The process of debugging and adapting existing code taught me many skills useful for computational chemistry and prepared me for future research collaborations.””

The internship also provided a chance to gain global perspectives which would otherwise be very difficult to organise and finance without the support of the College. For Tomas, the exchange programme emphasised the importance of choosing the right research group – not just for its scientific focus but also for its collaborative atmosphere. “The interdisciplinary environment at Brown showed me how scientists from different fields approach problem solving, which will be vital for my future work.” 

Outside the lab, both students also took the opportunity to immerse themselves in American culture. Asmita explored historic New England sites like Boston’s Freedom Trail and sampled a range of regional culinary delights from lobster rolls to Boston cream pie and Tomas enjoyed visiting landmarks in Providence, Newport, and New York.

All of these experiences were only made possible thanks to a partnership between the Winston Churchill Foundation of the United States and the College. The Foundation generously covers the costs of the programme with the College providing additional support as needed.

Looking ahead

Both students are now more certain of their academic paths. Asmita plans to pursue a PhD in computational chemistry in the UK, informed by her summer experiences and exposure to the differences between UK and US academic cultures. Tomas is also committed to a future in academia, exploring theoretical or environmental chemistry. They are both in no doubt about the vital importance of these types of funded summer research opportunities, as Asmita explains:

 “These internships are vital for students to develop skills beyond their degree, contribute to real-world problems, and gain the confidence to pursue research careers. However, securing funding for summer research can be challenging, with limited funding provided by departments and other organisations which is often tied to very specific research projects.

Tomas agrees, emphasising the importance of challenging assumptions: “Programmes like this encourage students to explore their interests deeply and make informed career decisions.” The opportunity to work in a top research environment also gave Tomas the confidence to pursue more ambitious projects in the future, particularly in the field of computational chemistry and highly theoretical subjects.

Churchill College’s commitment to supporting its students’ growth – academically, professionally, and personally – is evident through these types of initiatives. By fostering these experiences, the College continues to empower its students to excel in their chosen fields. The College Tutor Rita Monson is extremely grateful for the support of Mike Morse, Executive Director of the Winston Churchill Foundation of the United States and Prof. Brenda Rubenstein who is also an alumna of the College.