Alán Aspuru-Guzik
University of Toronto
664 Papers
4.7K Citations
Alán Aspuru-Guzik is an academic researcher from University of Toronto. The author has contributed to research in topics: Quantum computer & Quantum. The author has an hindex of 97, co-authored 628 publications. Previous affiliations of Alán Aspuru-Guzik include D-Wave Systems & National Autonomous University of Mexico.
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Papers
The Matter Simulation (R)evolution
TL;DR: A view on the future of computer simulation of matter from the molecular to the human length and time scales in a radical way that deliberately dares to go beyond the foreseeable next steps in any given discipline is presented.
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On the alternatives for bath correlators and spectral densities from mixed quantum-classical simulations
TL;DR: A simple model is introduced which can give intuition on when the ground state QM/MM propagation will give the correct energy gap and the role of higher order correlators of the energy-gap fluctuations can provide useful information on the bath.
Autonomous Chemical Experiments: Challenges and Perspectives on Establishing a Self-Driving Lab.
Martin Seifrid,Robert Pollice,Andrés Aguilar-Granda,Zamyla Morgan Chan,Kazuhiro Hotta,Cher Tian Ser,Jenya Vestfrid,Tony C. Wu,Alán Aspuru-Guzik +8 more
TL;DR: The efforts to build a self-driving lab for the development of a new class of materials: organic semiconductor lasers (OSLs) are described, and a flexible system for automated synthesis via iterative Suzuki-Miyaura cross-coupling reactions is developed.
152
Quantum Stochastic Walks: A Generalization of Classical Random Walks and Quantum Walks
TL;DR: The quantum stochastic walk (QSW) as mentioned in this paper determines the evolution of a generalized quantum-mechanical walk on a graph that obeys a quantum Stochastic equation of motion.
Machine learning dihydrogen activation in the chemical space surrounding Vaska's complex
Pascal Friederich,Pascal Friederich,Gabriel dos Passos Gomes,Riccardo De Bin,Alán Aspuru-Guzik,David Balcells +5 more
TL;DR: A machine learning exploration of the chemical space surrounding Vaska's complex shows signs of wear and tear in the materials used in the complex, as well as new ideas about how to incorporate nanofiltration into the production process.
146