Open Access scholarly publisher MDPI has named Professor Ursula Röthlisberger, Professor of Computational Chemistry and Biochemistry at the École Polytechnique Fédérale de Lausanne (EPFL), as the recipient of the 2026 Michele Parrinello Award . Professor Ursula Röthlisberger has been recognized for her outstanding contributions to computational chemistry and molecular simulation.
Professor Ursula Roethlisberger said: “I am deeply honored to receive this award, which bears the name of one of my long-time mentors and most inspiring role models. To me, this distinction represents far more than personal recognition—it is a wonderful affirmation of the scientific contributions that I have been privileged to make, together with outstanding students, postdoctoral researchers, collaborators, and colleagues, throughout my career.”
Established by MDPI in 2025, the Michele Parrinello Award commemorates the scientific legacy of Professor Michele Parrinello, whose groundbreaking work transformed atomistic simulation and molecular dynamics. Winners are recognized for their outstanding contributions to computational physical sciences and receive a prize of 50,000 EUR in recognition of their achievements.
Professor Röthlisberger’s work has made pioneering contributions to ab initio molecular dynamics and quantum mechanical/molecular mechanical (QM/MM) multiscale simulation methods. It has provided rigorous computational frameworks for investigating complex molecular processes across different scientific fields, creating important tools for studying molecular processes and guiding scientific discovery. Her research spans quantum chemistry, molecular biology, materials science, and sustainable energy.
A major focus of Professor Röthlisberger’s recent research has been the computational design and understanding of next-generation photovoltaic materials. Through close collaboration with experimental scientists worldwide, she has revealed the fundamental mechanisms governing dye-sensitized and perovskite solar cells, providing insights that have helped guide the development of more efficient, stable, and sustainable solar energy technologies.
Professor Xin-Gao Gong, chair of the Michele Parrinello Award Committee , added: “Professor Ursula Röthlisberger has been recognized by the Michele Parrinello Award Committee as an exceptional leader in computational chemistry and molecular simulation. Her innovative research has significantly advanced the predictive modeling of complex chemical and biological systems and has created lasting impact across multiple scientific disciplines. Through her outstanding scientific achievements, dedication to education, and leadership in the international research community, she has played a vital role in shaping the development of modern computational science.”
Professor Röthlisberger's scientific achievements have earned international recognition throughout her career. She is an elected Fellow of the American Association for the Advancement of Science (AAAS), a member of the International Academy of Quantum Molecular Science, and a recipient of the Dirac Medal from the World Association of Theoretical and Computational Chemists (WATOC) and the Ruzicka Prize.
The Michele Parrinello Award forms part of MDPI’s commitment to recognizing scientific excellence and supporting outstanding researchers whose work advances fundamental knowledge and addresses global scientific challenges.