Merck Honors Alán Aspuru-Guzik with the Heinrich Emanuel Merck Award for Computational Sciences

Chemist wins prestigious science award worth € 15,000

01-Jul-2025
C. Osorio

Alán Aspuru-Guzik

Merck announced that the Heinrich Emanuel Merck Award has been bestowed upon Alán Aspuru-Guzik (48), professor of chemistry and computer science at the University of Toronto, Canada, in recognition of his groundbreaking innovations in computational sciences.

The award ceremony, held at the Stadttheater Lindau in conjunction with the Lindau Nobel Laureate meeting, highlighted the critical role of computational sciences in driving transformative research and fostering collaboration between academia and industry.

“My research interests are in areas that are poised to disrupt the chemical sciences. We have pioneered algorithms for near-term quantum computers, and artificial intelligence and robotics for new materials. Recently we have focused strongly on AI agents that do science,” Aspuru-Guzik elaborated when receiving the prize in Lindau. “Receiving the Heinrich Emanuel Merck Award is a testament to the exceptionally talented, motivated, and collaborative Matter Lab research group that we have assembled at the University of Toronto.”

“Today we celebrate not just individual achievements, but a shared commitment to accelerating scientific discovery – driving breakthroughs that transform lives and open entirely new frontiers for innovation,” Laura Matz, Chief Science and Technology Officer at Merck, said in her laudatory speech.

Aspuru-Guzik was awarded for his work as a leading researcher at the intersection of quantum information, quantum computing, artificial intelligence, automation, and chemistry. The award also honors his dedication to accelerating scientific discovery and finding novel materials. His work includes utilizing generative machine learning to optimize wave functions for quantum simulations. Additionally, he has made a significant contribution toward the development of self-driving laboratories (SDLs) that leverage Al and automation – as exemplified by his successful identification of top-performing organic lasers.

The innovative work at the lab of Aspuru-Guzik also includes integrating quantum components into drug discovery pipelines, showcasing the potential of hybrid quantum-classical systems in generating viable drug options. Through these efforts, Aspuru-Guzik's team is making significant contributions to advancing materials science and chemistry.

The awardee is also the CIFAR AI Chair at the Vector Institute in Toronto, Director of the Acceleration Consortium at the University of Toronto, and Senior Director of Quantum Chemistry at NVIDIA.

The Heinrich Emanuel Merck award not only honors individual achievements, but also serves as a catalyst for future innovation and collaboration in the field of computational sciences. Worth € 15,000, it recognizes scientists whose work focuses on new methods in chemical analysis and their development in applications in fields such as life sciences, environmental protection, and biosciences. Since 2025, the award has shifted focus to recognize innovations in computational sciences, reflecting the transformative impact of these fields.

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