Kuntal Talit

About me

I am a physicist by training and a computational materials scientist by practice. What keeps me interested in science is something fairly simple: I like problems that I don’t yet know how to solve.

Much of my work involves using computation to understand materials—how atoms arrange themselves, how electrons behave, and how small changes at the microscopic scale can lead to very different properties. Over the years, that curiosity has taken me through density functional theory, quantum materials, high-performance computing, and, increasingly, artificial intelligence.

I also enjoy building things. When I find myself repeating a complicated scientific task, my instinct is often to ask whether a computer could do more of it for us. That curiosity has led me toward automation and AI for computational science—to give us more time to exercise scientific judgment.

My path has never stayed neatly inside one discipline. I have worked as a software developer, studied materials engineering, trained as a physicist, and now spend much of my time somewhere between physics, materials science, computing, and AI. I have learned to enjoy those boundaries rather than worry too much about which side of them I belong on.

Science is only one part of my life. I am a father, which has probably made me as curious about how a child’s mind develops as I am about how materials behave. I enjoy gardening—the wonderfully low-tech experiment where nature routinely ignores my predictions. I love cooking, where experiments are considerably less reproducible and peer review from my family is much faster. I like long road trips, discovering places without rushing through them, a good glass of wine, and conversations with people whose lives and experiences are very different from mine.

How I got here

Applied physics, materials engineering, software development, and computational research—now converging in AI for scientific discovery.

  1. M.Sc. in Applied Physics

    IIEST Shibpur, India

    Built a foundation in applied physics and began studying materials at the atomic scale.

  2. M.Tech. in Materials Engineering

    IIEST Shibpur, India

    Studied the ground-state properties of group-IV atomic clusters.

  3. Mainframe Application Developer

    IBM India, Bangalore

    Learned how reliable software is designed, maintained, and used at scale.

  4. M.S. & Ph.D. in Physics

    University of California, Merced

    Advanced into first-principles methods and studied strain, symmetry, and vibrational properties in hybrid perovskites.

  5. Current

    Postdoctoral Research Associate

    UC Merced · TritonDFT · UC-LEAP

    Investigating doped oxides and topological materials while developing AI systems that connect scientific literature, simulation, HPC, and human judgment.