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Sample-based Krylov Quantum Diagonalization
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2025
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Jeffery Yu
Javier Robledo Moreno
Joseph T. Iosue
Luke W. Bertels
Daniel Claudino
Bryce Fuller
Peter Groszkowski
Travis S. Humble
Petar Jurcevic
William Kirby
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High-fidelity dimer excitations using quantum hardware
|
2024
|
Norhan M. Eassa
Joe Gibbs
Zoë Holmes
Andrew Sornborger
Łukasz Cincio
Gavin Hester
Paul Kairys
Mário Motta
Jeffrey F. Cohn
Arnab Banerjee
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Towards quantum-centric simulations of extended molecules: sample-based
quantum diagonalization enhanced with density matrix embedding theory
|
2024
|
Akhil Shajan
Danil S. Kaliakin
Abhishek Mitra
Javier Robledo Moreno
Zhen Li
Mário Motta
Caleb Johnson
Abdullah Ash Saki
Susanta Kumar Das
Iskandar Sitdikov
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Quantum-centric computation of molecular excited states with extended
sample-based quantum diagonalization
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2024
|
Stefano Barison
Javier Robledo Moreno
Mário Motta
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Accurate quantum-centric simulations of supramolecular interactions
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2024
|
Danil S. Kaliakin
Akhil Shajan
Javier Robledo Moreno
Zhen Li
Abhishek Mitra
Mário Motta
Caleb Johnson
Abdullah Ash Saki
Susanta Kumar Das
Iskandar Sitdikov
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Quantum algorithms for the variational optimization of correlated
electronic states with stochastic reconfiguration and the linear method
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2024
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Mário Motta
Kevin J. Sung
James Shee
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Diagonalization of large many-body Hamiltonians on a quantum processor
|
2024
|
Nobuyuki Yoshioka
Mirko Amico
William Kirby
Petar Jurcevic
Arkopal Dutt
Bryce Fuller
Shelly Garion
Holger Haas
Ikko Hamamura
Alexander Ivrii
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Adiabatic quantum imaginary time evolution
|
2024
|
Kasra Hejazi
Mário Motta
Garnet Kin‐Lic Chan
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Quantum-centric supercomputing for materials science: A perspective on challenges and future directions
|
2024
|
Yuri Alexeev
Maximilian Amsler
Marco Antonio Barroca
Sanzio Bassini
Torey Battelle
Daan Camps
David Casanova
Young Jay Choi
Frederic T. Chong
Charles Chung
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Quantum Algorithm for Imaginary-Time Green’s Functions
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2024
|
Diksha Dhawan
Dominika Zgid
Mário Motta
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Chemistry Beyond Exact Solutions on a Quantum-Centric Supercomputer
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2024
|
Javier Robledo-Moreno
Mário Motta
Holger Haas
Ali Javadi-Abhari
Petar Jurcevic
William Kirby
Simon Martiel
Kunal Sharma
Sandeep Sharma
Tomonori Shirakawa
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Distinguishing homolytic versus heterolytic bond dissociation of phenyl
sulfonium cations with localized active space methods
|
2024
|
Qiaohong Wang
Valay Agarawal
Matthew R. Hermes
Mário Motta
Julia E. Rice
Gavin O. Jones
Laura Gagliardi
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Simulation of a Diels-Alder Reaction on a Quantum Computer
|
2024
|
Ieva Liepuoniute
Mário Motta
Thaddeus Pellegrini
Julia E. Rice
Tanvi P. Gujarati
Sofia Gil
Gavin O. Jones
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Experimental demonstration of scalable cross-entropy benchmarking to
detect measurement-induced phase transitions on a superconducting quantum
processor
|
2024
|
Hirsh Kamakari
Jiace Sun
Yaodong Li
Jonathan J. Thio
Tanvi P. Gujarati
Matthew P. A. Fisher
Mário Motta
Austin J. Minnich
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Subspace methods for electronic structure simulations on quantum computers
|
2024
|
Mário Motta
William Kirby
Ieva Liepuoniute
Kevin J. Sung
Jeffrey F. Cohn
Antonio Mezzacapo
Katherine Klymko
Nam P. Nguyen
Nobuyuki Yoshioka
Julia E. Rice
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+
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Linear algebra
|
2023
|
Riccardo Manenti
Mário Motta
|
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Quantum-enhanced Markov chain Monte Carlo
|
2023
|
David Layden
Guglielmo Mazzola
Ryan V. Mishmash
Mário Motta
Paweł Wocjan
Jin-Sung Kim
Sarah Sheldon
|
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Measurement-induced entanglement phase transition on a superconducting quantum processor with mid-circuit readout
|
2023
|
Jin Ming Koh
Shining Sun
Mário Motta
Austin J. Minnich
|
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Hierarchical Clifford Transformations to Reduce Entanglement in Quantum Chemistry Wave Functions
|
2023
|
Ryan V. Mishmash
Tanvi P. Gujarati
Mário Motta
Huanchen Zhai
Garnet Kin‐Lic Chan
Antonio Mezzacapo
|
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Exact and efficient Lanczos method on a quantum computer
|
2023
|
William Kirby
Mário Motta
Antonio Mezzacapo
|
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PDF
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Challenges in the Use of Quantum Computing Hardware-Efficient Ansätze in Electronic Structure Theory
|
2023
|
Ruhee D’Cunha
T. Daniel Crawford
Mário Motta
Julia E. Rice
|
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Stochastic quantum Krylov protocol with double-factorized Hamiltonians
|
2023
|
Nicholas H. Stair
Cristian L. Cortes
Robert M. Parrish
Jeffrey Cohn
Mário Motta
|
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<i>N</i>-Electron Valence Perturbation Theory with Reference Wave Functions from Quantum Computing: Application to the Relative Stability of Hydroxide Anion and Hydroxyl Radical
|
2023
|
Alessandro Tammaro
D. E. Galli
Julia E. Rice
Mário Motta
|
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Hierarchical Clifford transformations to reduce entanglement in quantum chemistry wavefunctions
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2023
|
Ryan V. Mishmash
Tanvi P. Gujarati
Mário Motta
Huan-Chen Zhai
Garnet Kin‐Lic Chan
Antonio Mezzacapo
|
|
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Quantum chemistry simulation of ground- and excited-state properties of the sulfonium cation on a superconducting quantum processor
|
2023
|
Mário Motta
Gavin O. Jones
Julia E. Rice
Tanvi P. Gujarati
Rei Sakuma
Ieva Liepuoniute
Jeannette M. Garcı́a
Yu‐ya Ohnishi
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+
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Enhancing the Expressivity of Variational Neural, and Hardware-Efficient Quantum States Through Orbital Rotations
|
2023
|
Javier Robledo Moreno
Jeffrey F. Cohn
Dries Sels
Mário Motta
|
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+
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High-fidelity dimer excitations using quantum hardware
|
2023
|
Norhan M. Eassa
Joe Gibbs
Zoë Holmes
Andrew Sornborger
Łukasz Cincio
Gavin Hester
Paul Kairys
Mário Motta
Jeffrey F. Cohn
Arnab Banerjee
|
|
+
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Adiabatic quantum imaginary time evolution
|
2023
|
Kasra Hejazi
Mário Motta
Garnet Kin‐Lic Chan
|
|
+
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Quantum computation of $π\to π^*$ and $n \to π^*$ excited states of aromatic heterocycles
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2023
|
Maria A. Castellanos
Mário Motta
Julia E. Rice
|
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+
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Quantum algorithm for imaginary-time Green's functions
|
2023
|
Diksha Dhawan
Dominika Zgid
Mário Motta
|
|
+
|
Subspace methods for electronic structure simulations on quantum computers
|
2023
|
Mário Motta
William Kirby
Ieva Liepuoniute
Kevin J. Sung
Jeffrey F. Cohn
Antonio Mezzacapo
Katherine Klymko
Nam P. Nguyen
Nobuyuki Yoshioka
Julia E. Rice
|
|
+
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Quantum-centric Supercomputing for Materials Science: A Perspective on Challenges and Future Directions
|
2023
|
Yuri Alexeev
Maximilian Amsler
P. G. Baity
Marco Antonio Barroca
Sanzio Bassini
Torey Battelle
Daan Camps
David Casanova
Young Jai Choi
Frederic T. Chong
|
|
+
PDF
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|
Quantum simulations of molecular systems with intrinsic atomic orbitals
|
2022
|
Stefano Barison
D. E. Galli
Mário Motta
|
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+
PDF
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Quantum Circuits for the Preparation of Spin Eigenfunctions on Quantum Computers
|
2022
|
Alessandro Carbone
D. E. Galli
Mário Motta
Barbara Jones
|
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Digital Quantum Simulation of Open Quantum Systems Using Quantum Imaginary–Time Evolution
|
2022
|
Hirsh Kamakari
Shi-Ning Sun
Mário Motta
Austin J. Minnich
|
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Doubling the Size of Quantum Simulators by Entanglement Forging
|
2022
|
Andrew Eddins
Mário Motta
Tanvi P. Gujarati
Sergey Bravyi
Antonio Mezzacapo
Charles Hadfield
Sarah Sheldon
|
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N-electron valence perturbation theory with reference wavefunctions from quantum computing: application to the relative stability of hydroxide anion and hydroxyl radical
|
2022
|
Alessandro Tammaro
D. E. Galli
Julia E. Rice
Mário Motta
|
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+
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Quantum Computation of Reactions on Surfaces Using Local Embedding
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2022
|
Tanvi P. Gujarati
Mário Motta
Triet Nguyen Friedhoff
Julia E. Rice
Nam P. Nguyen
Panagiotis Kl. Barkoutsos
Richard J. Thompson
Tyler Smith
Marna Kagele
Mark Brei
|
|
+
|
Quantum-enhanced Markov chain Monte Carlo
|
2022
|
David Layden
Guglielmo Mazzola
Ryan V. Mishmash
Mário Motta
Paweł Wocjan
Jin-Sung Kim
Sarah Sheldon
|
|
+
|
Experimental Realization of a Measurement-Induced Entanglement Phase Transition on a Superconducting Quantum Processor
|
2022
|
Jin Ming Koh
Shining Sun
Mário Motta
Austin J. Minnich
|
|
+
|
Exact and efficient Lanczos method on a quantum computer
|
2022
|
William Kirby
Mário Motta
Antonio Mezzacapo
|
|
+
|
Quantum chemistry simulation of ground- and excited-state properties of the sulfonium cation on a superconducting quantum processor
|
2022
|
Mário Motta
Gavin O. Jones
Julia E. Rice
Tanvi P. Gujarati
Rei Sakuma
Ieva Liepuoniute
Jeannette M. Garcı́a
Yu‐ya Ohnishi
|
|
+
|
Challenges in the use of quantum computing hardware-efficient Ansatze in electronic structure theory
|
2022
|
Ruhee D’Cunha
T. Daniel Crawford
Mário Motta
Julia E. Rice
|
|
+
|
A stochastic quantum Krylov protocol with double factorized Hamiltonians
|
2022
|
Nicholas H. Stair
Cristian L. Cortes
Robert M. Parrish
Jeffrey F. Cohn
Mário Motta
|
|
+
PDF
Chat
|
Quantum Filter Diagonalization with Compressed Double-Factorized Hamiltonians
|
2021
|
Jeffrey Cohn
Mário Motta
Robert M. Parrish
|
|
+
PDF
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|
Emerging quantum computing algorithms for quantum chemistry
|
2021
|
Mário Motta
Julia E. Rice
|
|
+
PDF
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|
Low rank representations for quantum simulation of electronic structure
|
2021
|
Mário Motta
Erika Ye
Jarrod R. McClean
Zhendong Li
Austin J. Minnich
Ryan Babbush
Garnet Kin‐Lic Chan
|
|
+
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Applications of quantum computing for investigations of electronic transitions in phenylsulfonyl-carbazole TADF emitters
|
2021
|
Qi Gao
Gavin O. Jones
Mário Motta
M. Sugawara
Hiroshi Watanabe
Takao Kobayashi
Eriko Watanabe
Yu‐ya Ohnishi
Hajime Nakamura
Naoki Yamamoto
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Quantum Filter Diagonalization with Double-Factorized Hamiltonians
|
2021
|
Jeffrey Cohn
Mário Motta
Robert M. Parrish
|
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PDF
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Quantum computation of dominant products in lithium–sulfur batteries
|
2021
|
Julia E. Rice
Tanvi P. Gujarati
Mário Motta
Tyler Y. Takeshita
Eunseok Lee
Joseph A. Latone
Jeannette M. Garcı́a
|
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<i>Ab initio</i> electronic density in solids by many-body plane-wave auxiliary-field quantum Monte Carlo calculations
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2021
|
Siyuan Chen
Mário Motta
Fengjie Ma
Shiwei Zhang
|
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Quantum Computation of Finite-Temperature Static and Dynamical Properties of Spin Systems Using Quantum Imaginary Time Evolution
|
2021
|
Shi-Ning Sun
Mário Motta
Ruslan N. Tazhigulov
Adrian T. K. Tan
Garnet Kin‐Lic Chan
Austin J. Minnich
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A quantum computational approach to the open-pit mining problem
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2021
|
Yousef Hindy
Jessica Pointing
Meltem Tolunay
Sreeram Venkatarao
Mário Motta
Joseph A. Latone
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Quantum simulations of molecular systems with intrinsic atomic orbitals
|
2020
|
Stefano Barison
D. E. Galli
Mário Motta
|
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+
PDF
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Quantum Algorithms for Quantum Chemistry and Quantum Materials Science
|
2020
|
Bela Bauer
Sergey Bravyi
Mário Motta
Garnet Kin‐Lic Chan
|
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Aspects of isentropic trajectories in chiral effective models
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2020
|
Rainer Stiele
W.M. Alberico
Andrea Beraudo
Renan Câmara Pereira
Pedro Costa
H. Hansen
Mário Motta
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Exploration of the phase diagram and the thermodynamic properties of QCD at finite temperature and chemical potential with the PNJL effective model
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2020
|
Mário Motta
W.M. Alberico
Andrea Beraudo
Pedro Costa
Rainer Stiele
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Ground-State Properties of the Hydrogen Chain: Dimerization, Insulator-to-Metal Transition, and Magnetic Phases
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2020
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Mário Motta
Claudio Genovese
Fengjie Ma
Zhi‐Hao Cui
Randy C. Sawaya
Garnet Kin‐Lic Chan
Natalia Chepiga
Phillip Helms
Carlos A. Jiménez-Hoyos
Andrew J. Millis
|
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Isentropic evolution of the matter in heavy-ion collisions and the search for the critical endpoint
|
2020
|
Mário Motta
Rainer Stiele
W.M. Alberico
Andrea Beraudo
|
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Applications of Quantum Computing for Investigations of Electronic Transitions in Phenylsulfonyl-carbazole TADF Emitters
|
2020
|
Qi Gao
Gavin O. Jones
Mário Motta
M. Sugawara
Hiroshi Watanabe
Takao Kobayashi
Eriko Watanabe
Yu‐ya Ohnishi
Hajime Nakamura
Naoki Yamamoto
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Recent developments in the P<scp>y</scp>SCF program package
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2020
|
Qiming Sun
Xing Zhang
Samragni Banerjee
Peng Bao
Marc Barbry
Nick S. Blunt
Nikolay A. Bogdanov
George H. Booth
Jia Chen
Zhi‐Hao Cui
|
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Electronic structure of bulk manganese oxide and nickel oxide from coupled cluster theory
|
2020
|
Yang Gao
Qiming Sun
Jason M. Yu
Mário Motta
James McClain
Alec F. White
Austin J. Minnich
Garnet Kin‐Lic Chan
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Isentropic evolution of the matter in heavy-ion collisions and the search for the critical endpoint
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2020
|
Mário Motta
Rainer Stiele
W.M. Alberico
Andrea Beraudo
|
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Direct Comparison of Many-Body Methods for Realistic Electronic Hamiltonians
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2020
|
Kiel T. Williams
Yuan Yao
Jia Li
Li Chen
Hao Shi
Mário Motta
Chunyao Niu
Ushnish Ray
Sheng Guo
Robert J. Anderson
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Quantum simulation of electronic structure with a transcorrelated Hamiltonian: improved accuracy with a smaller footprint on the quantum computer
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2020
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Mário Motta
Tanvi P. Gujarati
Julia E. Rice
Ashutosh Kumar
Conner Masteran
Joseph A. Latone
Eunseok Lee
Edward F. Valeev
Tyler Y. Takeshita
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Isentropic evolution of the matter in heavy-ion collisions and the search for the critical endpoint
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2020
|
Mário Motta
Rainer Stiele
W.M. Alberico
A. Beraudo
|
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+
PDF
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Qubitization of Arbitrary Basis Quantum Chemistry Leveraging Sparsity and Low Rank Factorization
|
2019
|
Dominic W. Berry
Craig Gidney
Mário Motta
Jarrod R. McClean
Ryan Babbush
|
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Determining eigenstates and thermal states on a quantum computer using quantum imaginary time evolution
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2019
|
Mário Motta
Chong Sun
Adrian T. K. Tan
Matthew J. O’Rourke
Erika Ye
Austin J. Minnich
Fernando G. S. L. Brandão
Garnet Kin‐Lic Chan
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Hamiltonian symmetries in auxiliary-field quantum Monte Carlo calculations for electronic structure
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2019
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Mário Motta
Shiwei Zhang
Garnet Kin‐Lic Chan
|
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+
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Efficient Ab Initio Auxiliary-Field Quantum Monte Carlo Calculations in Gaussian Bases via Low-Rank Tensor Decomposition
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2019
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Mário Motta
James Shee
Shiwei Zhang
Garnet Kin‐Lic Chan
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Qubitization of Arbitrary Basis Quantum Chemistry by Low Rank Factorization
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2019
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Dominic W. Berry
Craig Gidney
Mário Motta
Jarrod R. McClean
Ryan Babbush
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Unified treatment of the total angular momentum of single photons via generalized quantum observables
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2018
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Mário Motta
Giacomo Guarnieri
L. Lanz
Beatrix C. Hiesmayr
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Low rank representations for quantum simulation of electronic structure
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2018
|
Mário Motta
Erika Ye
Jarrod R. McClean
Zhendong Li
Austin J. Minnich
Ryan Babbush
Garnet Kin‐Lic Chan
|
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+
PDF
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Ab initio computations of molecular systems by the auxiliary‐field quantum Monte Carlo method
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2018
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Mário Motta
Shiwei Zhang
|
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+
PDF
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Communication: Calculation of interatomic forces and optimization of molecular geometry with auxiliary-field quantum Monte Carlo
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2018
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Mário Motta
Shiwei Zhang
|
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PDF
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Breaking the Habit: The Peculiar 2016 Eruption of the Unique Recurrent Nova M31N 2008-12a
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2018
|
M. Henze
M. J. Darnley
S. C. Williams
Mariko Kato
Izumi Hachisu
G. C. Anupama
Akira Arai
D. Boyd
D. J. Burke
Robin Ciardullo
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+
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Stochastic Differential Equations
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2018
|
Ettore Vitali
Mário Motta
D. E. Galli
|
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+
PDF
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Computation of Ground-State Properties in Molecular Systems: Back-Propagation with Auxiliary-Field Quantum Monte Carlo
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2017
|
Mário Motta
Shiwei Zhang
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Towards the Solution of the Many-Electron Problem in Real Materials: Equation of State of the Hydrogen Chain with State-of-the-Art Many-Body Methods
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2017
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Mário Motta
David M. Ceperley
Garnet Kin‐Lic Chan
John A. Gomez
Emanuel Gull
Sheng Guo
Carlos A. Jiménez-Hoyos
Lan Nguyen Tran
Jia Li
Fengjie Ma
|
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PDF
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Linear Response of One-Dimensional Liquid $$^4\hbox {He}$$ to External Perturbations
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2016
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Mário Motta
Gianluca Bertaina
Ettore Vitali
D. E. Galli
M. Rossi
|
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Dynamical structure factor of one-dimensional hard rods
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2016
|
Mário Motta
Ettore Vitali
M. Rossi
D. E. Galli
Gianluca Bertaina
|
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Roton Excitations and the Fluid–Solid Phase Transition in Superfluid 2D Yukawa Bosons
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2016
|
S. Molinelli
D. E. Galli
L. Reatto
Mário Motta
|
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One-Dimensional Liquid<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:mmultiscripts><mml:mrow><mml:mi>He</mml:mi></mml:mrow><mml:mprescripts /><mml:none /><mml:mrow><mml:mn>4</mml:mn></mml:mrow></mml:mmultiscripts></mml:mrow></mml:math>: Dynamical Properties beyond Luttinger-Liquid Theory
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2016
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Gianluca Bertaina
Mário Motta
M. Rossi
Ettore Vitali
D. E. Galli
|
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Single-photon observables and preparation uncertainty relations
|
2015
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Giacomo Guarnieri
Mário Motta
L. Lanz
|
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Implementation of the linear method for the optimization of Jastrow–Feenberg and backflow correlations
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2015
|
Mário Motta
Gianluca Bertaina
D. E. Galli
Ettore Vitali
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Imaginary Time Correlations for a High-Density two-dimensional Electron Gas
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2015
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Mário Motta
D. E. Galli
Saverio Moroni
Ettore Vitali
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+
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One-dimensional liquid $^4$He beyond Luttinger theory
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2014
|
Gianluca Bertaina
Mário Motta
M. Rossi
Ettore Vitali
D. E. Galli
|
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+
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Single Photon Position and Momentum Uncertainty Relations
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2014
|
Giacomo Guarnieri
Mário Motta
L. Lanz
|
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+
PDF
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Imaginary time correlations and the phaseless auxiliary field quantum Monte Carlo
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2014
|
Mário Motta
D. E. Galli
Saverio Moroni
Ettore Vitali
|
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+
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Single-Photon Observables and Preparation Uncertainty Relations
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2014
|
Giacomo Guarnieri
Mário Motta
L. Lanz
|