Minerva's daughters go into detail

Postdoctoral researcher Dr. Shalini Yadav is fascinated by quantum physics and enzymes

From the University of Lucknow in India to the Max-Planck-Institut für Kohlenforschung: Dr. Shalini Yadav is fully committed to investigating how enzymes function at the atomic level – and what we can learn from them for the development of new catalysts.

Since October 2023, Dr Shalini Yadav has been conducting research in the Department of Molecular Theory and Spectroscopy under the supervision of Prof. Frank Neese and Dr Dimitrios Pantazis. Her work is now funded by a prestigious scholarship from the Alexander von Humboldt Foundation. Using quantum chemical methods and molecular dynamics simulations, the 28-year-old researcher is shedding light on complex biochemical reactions and demonstrating the potential of computer-aided chemistry.

In the Minervas' Daughters interview, Shalini talks about her scientific drive and why young women in particular should follow their curiosity.

What brought you here? Tell us about your way to the Kohlenforschung!
Shalini Yadav: Well, during my PhD, I was focused on understanding enzyme mechanisms and their reactivity using computational methods. Towards the end of it, I became more curious about electronic structures and spectroscopic properties of molecules. That’s when I applied for a postdoc position in Dimitrios’s group—and luckily, I got in! Later, I talked to him about applying for the Humboldt fellowship. We worked together on a proposal that matched my skills with his ideas—and here I am, now officially a Humboldt fellow.

What do you like most about your work in theoretical chemistry?
Shalini: I really enjoy how computational chemistry brings clarity to complicated biochemical systems. It’s satisfying when you finally see the big picture after working through so many details. Also, I have to say, the friendly and supportive atmosphere here makes a huge difference. And the scientific discussions—those are always eye-opening.

What influenced you to study chemistry? Did you have a role model?
Shalini: I wouldn’t say just one role model, but I’ve had some really inspiring teachers along the way. My undergraduate chemistry teacher played a big role in encouraging me to pursue this field. And during my PhD, my supervisor Dr. Kshatresh introduced me to the world of biomolecules—that’s where everything clicked. I really admire people who teach with passion and can pass on that energy to others.

And what are your professional goals?
Shalini: Right now, I’m really enjoying doing science. Looking ahead, I’d like to stay in academia. I love learning, but even more, I want to share that knowledge and keep the cycle going. Teaching and research together—that’s what I see myself doing long term.

And what has been your most difficult step so far?
Shalini: Honestly, moving from India to Germany was quite tough in the beginning. The first few months were a challenge—new place, new language, new everything. But once I reminded myself why I came here, things started falling into place.

What advice would you give to young girls who are interested in working in a scientific institution??
Shalini: If you’re curious about science, go for it. Follow that curiosity. It’s incredibly fulfilling to work on something you genuinely enjoy. The excitement of solving problems and discovering new things—it’s worth chasing.

One last one—if you had one wish, what would it be?
Shalini: I’d wish for equal opportunities in education and research for students everywhere. Talent is everywhere, but opportunity, unfortunately, isn’t. If we could fix that, the world would gain so much more.