Yair Litman

Dr. Yair Litman serves as a Group Leader at the Max Planck Institute for Polymer Research, where he founded the STREAM Group (Simulations of Transformations at Electrochemical Aqueous Media) in April 2025. His research focuses on advancing microscopic understanding of chemical reactivity at aqueous interfaces through state-of-the-art atomistic simulations.

His academic background includes:

• Diploma in Chemistry from the University of Buenos Aires (2014)
• PhD in Theoretical Chemistry from the Fritz Haber Institute of the Max Planck Society (2020)

Dr. Litman specializes in nuclear quantum effects within hydrogen-bonded systems at hybrid organic/inorganic and electrochemical interfaces. His group develops theoretical frameworks combining molecular dynamics with classical, density functional theory (DFT), and machine-learning interatomic potentials, enhanced by path integral techniques. Core objectives include unraveling molecular mechanisms of interfacial reactivity in electrochemical systems, creating descriptors for rational device design, and exploring nanoconfinement strategies to modulate reactivity. The group also pioneers methods for predicting vibrational spectroscopies (SFG, IR, Raman, TERS) to bridge simulation and experimental validation.

His recent publications demonstrate a strong interdisciplinary trajectory integrating machine learning with first-principles simulations to decode aqueous interfacial phenomena. Work spans computational chemistry, electrochemistry, and surface science with emphasis on equilibrium/dynamical behaviors of complex systems, particularly in electrolyte solutions and nanoconfined water environments.

As an advocate for Equality, Diversity and Inclusion (EDI), Dr. Litman actively promotes inclusive research environments, asserting that excellence and inclusion are fundamentally correlated. The STREAM group maintains robust international collaborations with experimental teams to address complex interfacial chemistry challenges.