Quantum computing

Quantum Computing merges two great scientific revolutions of the 20th century: computer science and quantum physics. Quantum physics is the theoretical basis of the transistor, the laser, and other technologies which enabled the computing revolution. But on the algorithmic level, today's computing machinery still operates on ""classical"" Boolean logic. Quantum Computing is the design of hardware and software that replaces Boolean logic by quantum law at the algorithmic level. For certain computations such as optimization, sampling, search or quantum simulation this promises dramatic speedups. We are particularly interested in applying quantum computing to artificial intelligence and machine learning. This is because many tasks in these areas rely on solving hard optimization problems or performing efficient sampling.

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Quantum relaxation for quadratic programs over orthogonal matrices

Quadratic programming over the (special) orthogonal group encompasses a broad class of optimization problems such as group synchronization, point-set registration, and simultaneous localization and mapping. Such problems are instances of the little noncommutative Grothendieck problem (LNCG), a natural generalization of quadratic combinatorial optimization where, instead of binary decision...

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Quantum relaxation for quadratic programs over orthogonal matrices

Andrew Zhao, Nicholas Rubin

arXiv, vol. 2301.01778 (2023)

Fault-Tolerant Quantum Simulation of Materials Using Bloch Orbitals

The simulation of chemistry is among the most promising applications of quantum computing. However, most prior work exploring algorithms for block-encoding, time-evolving, and sampling in the eigenbasis of electronic structure Hamiltonians has either focused on modeling finite-sized systems, or has required a large number of plane wave basis functions. In this work, we extend methods for...

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Fault-Tolerant Quantum Simulation of Materials Using Bloch Orbitals

Nicholas Rubin, Dominic Berry, Fionn Malone, Alec White, Tanuj Khattar, Eugene DePrince III, Sabrina Sicolo, Michael Kuehn, Michael Kaicher, Joonho Lee, Ryan Babbush

arXiv:2302.05531 (2023)

Drug Design on Quantum Computers

Quantum computers promise to revolutionise several fields for which quantum chemical calculations are required, providing new insights into the properties of chemical systems. Computer-aided drug design could take advantage of such accurate chemical calculations. This perspective explores the demands on quantum computing from the pharmaceutical industry, where quantum computers could transform...

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Drug Design on Quantum Computers

Raffaele Santagati, Alán Aspuru-Guzik, Ryan Babbush, Matthias Degroote, Leticia Gonzalez, Elica Kyoseva, Nikolaj Moll, Markus Oppel, Robert Parrish, Nicholas Rubin, Michael Streif, Christofer Tautermann, Horst Weiss, Nathan Wiebe, Clemens Utschig-Utschig

arXiv:2301.04114 (2023)

Quantum Simulation of Exact Electron Dynamics can be more Efficient than Classical Mean-Field Methods

Quantum algorithms for simulating electronic ground states are slower than popular classical mean-field algorithms such as Hartree-Fock and density functional theory, but offer higher accuracy. Accordingly, quantum computers have been predominantly regarded as competitors to only the most accurate and costly classical methods for treating electron correlation. However, here we tighten bounds...

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Quantum Simulation of Exact Electron Dynamics can be more Efficient than Classical Mean-Field Methods

Ryan Babbush, William J. Huggins, Dominic W. Berry, Shu Fay Ung, Andrew Zhao, David Reichman, Hartmut Neven, Andrew Baczewski, Joonho Lee

arXiv:2301.01203 (2023)

Purification-Based Quantum Error Mitigation of Pair-Correlated Electron Simulations

An important measure of the development of quantum computing platforms has been the simulation of increasingly complex physical systems. Prior to fault-tolerant quantum computing, robust error mitigation strategies are necessary to continue this growth. Here, we study physical simulation within the seniority-zero electron pairing subspace, which affords both a computational stepping stone to a...

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Purification-Based Quantum Error Mitigation of Pair-Correlated Electron Simulations

Thomas E O'Brien, Gian-Luca R. Anselmetti, Fotios Gkritsis, Vincent Elfving, Stefano Polla, William J. Huggins, Oumarou Oumarou, Kostyantyn Kechedzhi, Dmitry Abanin, Rajeev Acharya, Igor Aleiner, Richard Ross Allen, Trond Ikdahl Andersen, Kyle Anderson, Markus Ansmann, Frank Carlton Arute, Kunal Arya, Juan Atalaya, Dave Bacon, Joe Bardin, Andreas Bengtsson, Sergio Boixo, Jenna Nicole Bovaird, Michael Blythe Broughton, Bob Benjamin Buckley, Alexandre Bourassa, Leon Brill, David A Buell, Tim Burger, Brian Burkett, Nicholas Bushnell, Jimmy Chen, Yu Chen, Benjamin Chiaro, Desmond Chun Fung Chik, Josh Godfrey Cogan, Roberto Collins, Paul Conner, William Courtney, Alex Crook, Ben Curtin, Dripto M. Debroy, Alexander Del Toro Barba, Sean Demura, Ilya Drozdov, Andrew Dunsworth, Daniel Eppens, Catherine Erickson, Lara Faoro, Edward Farhi, Reza Fatemi, Leslie Flores, Ebrahim Forati, Austin Fowler, Brooks Riley Foxen, William Giang, Craig Michael Gidney, Dar Gilboa, Marissa Giustina, Alejandro Grajales Dau, Jonathan Arthur Gross, Steve Habegger, Michael C. Hamilton, Matt P Harrigan, Sean Harrington, Catherine Vollgraff Heidweiller, Jeremy Patterson Hilton, Markus Rudolf Hoffmann, Sabrina Hong, Trent Huang, Ashley Anne Huff, Lev Ioffe, Sergei Isakov, Justin Thomas Iveland, Evan Jeffrey, Cody Jones, Pavol Juhas, Dvir Kafri, Julian Kelly, Tanuj Khattar, Mostafa Khezri, Marika Kieferova, Seon Kim, Paul Victor Klimov, Andrey Klots, Alexander Korotkov, Fedor Kostritsa, John Mark Kreikebaum, Dave Landhuis, Pavel Laptev, Kim Ming Lau, Lily MeeKit Laws, Joonho Lee, Kenny Lee, Brian Lester, Alexander T. Lill, Wayne Liu, Aditya Locharla, Erik Lucero, Fionn Malone, Orion Martin, Jarrod Ryan McClean, Trevor Johnathan Mccourt, Matt McEwen, Anthony Megrant, Xiao Mi, Kevin Miao, Masoud Mohseni, Shirin Montazeri, Alexis Morvan, Ramis Movassagh, Wojtek Mruczkiewicz, Ofer Naaman, Matthew Neeley, Charles Neill, Ani Nersisyan, Hartmut Neven, Michael Newman, Jiun How Ng, Anthony Hieu Nguyen, Murray Nguyen, Murphy Yuezhen Niu, Alex Opremcak, Andre Gregory Petukhov, Rebecca Potter, Chris Quintana, Pedram Roushan, Daniel Sank, Kannan Aryaperumal Sankaragomathi, Kevin Satzinger, Christopher Schuster, Mike Shearn, Aaron Shorter, Vladimir Shvarts, Jindra Skruzny, Vadim Smelyanskiy, Clarke Smith, Rolando Diego Somma, Doug Strain, Marco Szalay, Alfredo Torres, Guifre Vidal, Benjamin Villalonga, Bryan W. K. Woo, Ted White, Jamie Yao, Ping Yeh, Juhwan Yoo, Grayson Robert Young, Adam Jozef Zalcman, Yaxing Zhang, Ningfeng Zhu, Nicholas Zobrist, Christian Gogolin, Ryan Babbush, Nicholas Rubin

arXiv:2210.10799 (2022)

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