Kasper Tolborg

Kasper Tolborg is a Tenure-Track Assistant Professor in the Department of Chemistry and Bioscience at Aalborg University, Faculty of Engineering and Science, where he leads the Computational Materials Chemistry research group. He is also a Villum Young Investigator, recognized for his innovative work in materials design.

His research focuses on computational materials design for sustainable technologies, particularly targeting hybrid organic-inorganic ferroelectric and piezoelectric materials, as well as inorganic solid-state electrolytes for next-generation batteries. His work emphasizes the role of entropy, temperature, and disorder in determining material properties and stability, employing quantum chemical, crystallographic, and data-driven methods.

Tolborg's recent publications highlight his expertise in machine learning force fields, vibrational free energy calculations, orientational disorder modeling, and anharmonic lattice dynamics—key tools in accelerating materials discovery. His research trends show a strong integration of AI and computational physics to predict crystal stability and design disordered materials with tailored functionalities.

Scientific Awards and Recognitions:

• Villum Young Investigator Grant
• Independent Research Fund Denmark Postdoctoral Fellowship
• Schmidt Futures AI in Science Postdoctoral Fellowship
• Inflection Award – 30 Best Young Scientists Working on Climate Solutions

Research Leadership: Tolborg is Principal Investigator (PI) on two major research projects: Entropy in materials design: Accelerated discovery of disordered solid electrolytes (2025–2030) and Computational design of disordered crystalline materials (2024–2027). These projects aim to revolutionize materials discovery through computational modeling and AI. He is actively recruiting PhD students and postdoctoral researchers to join his group.

Collaborative and Professional Engagement: Tolborg has been an active participant in international conferences, presenting on topics such as machine learning force fields and disorder modeling. He is a member of the Censorkorpset i kemi, contributing to academic governance in Denmark.