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Quantum Chemistry in the Age of Quantum Computing
Yudong Cao, Jonathan Romero, Jonathan P. Olson +10
Practical challenges in simulating quantum systems on classical computers have been widely recognized in the quantum physics and quantum chemistry communities over the past century…
Molecular Sets (MOSES): A Benchmarking Platform for Molecular Generation Models
Daniil Polykovskiy, Alexander Zhebrak, Benjamin Sanchez-Lengeling +13
Generative models are becoming a tool of choice for exploring the molecular space. These models learn on a large training dataset and produce novel molecular structures with simila…
A framework for algorithm deployment on cloud-based quantum computers
Sukin Sim, Yudong Cao, Jonathan Romero +2
In recent years, the field of quantum computing has significantly developed in both the improvement of hardware as well as the assembly of various software tools and platforms, inc…
Variational Quantum Factoring
Eric R. Anschuetz, Jonathan P. Olson, Alán Aspuru-Guzik +1
Integer factorization has been one of the cornerstone applications of the field of quantum computing since the discovery of an efficient algorithm for factoring by Peter Shor. Unfo…
Quantum computational chemistry
Sam McArdle, Suguru Endo, Alan Aspuru-Guzik +2
One of the most promising suggested applications of quantum computing is solving classically intractable chemistry problems. This may help to answer unresolved questions about phen…
Molecular Realization of a Quantum NAND Tree
Phillip W. K. Jensen, Chengjun Jin, Pierre-Luc Dallaire-Demers +2
The negative-AND (NAND) gate is universal for classical computation making it an important target for development. A seminal quantum computing algorithm by Farhi, Goldstone and Gut…