Welcome! I'm Arpan

Delighted to have you here! I am a computational chemist and quantum scientist fascinated by the intersection of quantum computing, chemistry, materials science, and machine learning. With more than a decade of research experience, I develop theoretical and computational approaches to understand and design materials, molecules, and chemical processes.

I received my Ph.D. with summa cum laude from Humboldt University of Berlin in theoretical and physical chemistry. Since then, I have worked across a broad range of problems, from adsorption in porous materials and electron–phonon interactions to quantum materials, catalysis, and molecular design.

My research combines first-principles electronic structure theory, molecular dynamics, coarse-grained modeling, machine learning, and emerging quantum algorithms. In recent years, I have been leading efforts to build quantum–classical workflows that integrate fault-tolerant quantum computing with computational chemistry for applications in materials, pharmaceuticals, and chemical discovery.

Currently, I lead scientific teams developing new computational platforms and software for quantum-enabled chemistry and materials discovery. Along the way, I have enjoyed building collaborations, mentoring scientists, and translating cutting-edge ideas into practical tools and technologies.

This website is a testament to my commitment to pushing the boundaries of scientific exploration. Explore my CV, publications, research, and software to delve into the intricate tapestry of my professional odyssey.

Thank you for your visit, and I hope you find my journey as thrilling as I've experienced it!

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