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Alán Aspuru-Guzik Theoretical Chemist, Quantum Information Scientist

Professor Alán Aspuru-Guzik joined Harvard University in 2006. He leads the Aspuru-Guzik Research Group, a theoretical physical chemistry group in the Department of Chemistry and Chemical Biology at Harvard University. Their research focuses on the connections between quantum computation, quantum information, and chemistry; theoretical studies of energy and charge transfer in photosynthetic complexes and renewable energy materials; methods development for electronic structure theory: first-principles methods, density functional theory, and quantum Monte Carlo; and development of the Clean Energy Project, the world’s largest distributed computing project for calculating the properties of candidate molecules for organic solar cells.


Invited Member of the World Economic Forum?s Global Future Council on Advanced Materials, 2016-2018.

Member of Defense Science Study Group , 2016-2017.

Per-Olov Löwdin Lecturer, Uppsala University, 2016.

National Science Foundation Distinguished Lecture Series in Mathematical and Physical Sciences Lecturer, 2016 .

National Security Science and Engineering Faculty Fellow, Department of Defense, 2015.

Korea Advanced Institute of Technology EEWS Distinguished Lecturer, 2015.

Member of Origins of Life Initiative, Harvard University, 2015.

Relevant Publications

Relevant Publications T. Blaskovits et al., "A Study of the Degree of Fluorination in Regioregular Poly(3-hexylthiophene)," Macromolecules. 50 (2016):162-174.

G.Giri et al., "Tuning charge transport in solution-sheared organic semiconductors using lattice strain," Nature, vol 480, issue 7378, pp. 504–508, 2011.



Senior Fellow Bio-inspired Solar Energy


Harvard UniversityDepartment of Chemistry and Chemical Biology


BSc Chemistry Universidad Nacional Autónoma de México - UNAM

PhD Physical Chemistry University of California, Berkeley


United States

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