Computers are machines. Algorithms are ideas.
We deeply value scientific rigor and our team is made of scientists specialized in Quantum Information Theory, Quantum Physics, Quantum Chemistry, and Quantum Computing. Due to our strong scientific background and commitment to quality in both theory and practical applications, we strongly believe in verifying our findings through publishing them in peer-reviewed journals of the highest caliber. Here is a selection of our most recent publications, and feel free to contact us if you want to start a conversation around any of our findings.
Exploiting overcompleteness of Platonic-solid POVMs for shadow estimation
Dario Melegari, Stefano Mangini, Keijo Korhonen, Hetta Vappula, Daniel Cavalcanti
arXiv:2608.26318
Observable Estimation in the Absence of Classical Verification
Samantha V. Barron et al.
arXiv:2607.25998
Improving shadow estimation with locally optimal dual frames
Keijo Korhonen, Stefano Mangini, Joonas Malmi, Hetta Vappula, Daniel Cavalcanti
Phys. Rev. A 114, 012428 (2026)
Link prediction with swarms of chiral quantum walks
Gaia Forghieri, Viacheslav Dubovitskii, Matteo A. C. Rossi, Matteo G. A. Paris
Advanced Quantum Technologies 9, 6 (2026)
Photodynamic Therapy as a Driver for Useful Quantum Advantage in Chemistry: Perspective from the Q4Bio program
Q4Bio Team Algorithmiq
Scalable quantum circuit generation for iterative ground state approximation using Majorana Propagation
Rahul Chakraborty, Aaron Miller, Anton Nykänen, Özlem Salehi, Fabio Tarocco, Fabijan Pavošević, Pi. A. B. Haase, Martina Stella, Adam Glos
arXiv:2603.23444
Experimental implementation of a discrete-time quantum walk on biological networks
Viacheslav Dubovitskii, Filippo Utro, Aritra Bose, Laxmi Parida, Sabrina Maniscalco, Sergey N. Filippov
npj Quantum Inf. (2026)
Error-Mitigation Enabled Multicomponent Quantum Simulations Beyond the Born-Oppenheimer Approximation
Delmar G. A Cabral, Brandon Allen, Fabijan Pavošević, Sharon Hammes-Schiffer, Pablo Díez-Valle, Jack S. Baker, Gaurav Saxena, Thi Ha Kyaw, Victor S. Batista
Chem. Theory Comput. 2026
Nuclear–electronic orbital second-order coupled cluster for excited states
Jonathan H. Fetherolf, Fabijan Pavošević, Sharon Hammes-Schiffer
J. Chem. Phys. 164, 044120 (2026)
Dynamical simulations of many-body quantum chaos on a quantum computer
Laurin E. Fischer et al.
Nature Physics (2026)
Origin of the insulating phase and metal-insulator transition in the organic molecular solid κ-(BEDT-TTF)2Cu2(CN)3
Dongbin Shin, Fabijan Pavošević, Nicolas Tancogne-Dejean, Michele Buzzi, Emil Viñas Boström, Angel Rubio
npj Computational Materials volume 12, 93
Approximate quantum circuit compilation for proton-transfer kinetics on quantum processors
Arseny Kovyrshin et al.
Phys. Chem. Chem. Phys., 2026, 28, 3035-3054
Triple excitations in nuclear–electronic orbital coupled cluster theory for multiple quantum protons
Rowan J. Goudy, Fabijan Pavošević, Sharon Hammes-Schiffer
J. Chem. Phys. 163, 224119 (2025)
Fermionic Born Machines: Classical training of quantum generative models based on Fermion Sampling
Bence Bakó, Zoltán Kolarovszki, Zoltán Zimborás
arXiv:2511.13844
Mitigating the measurement overhead of ADAPT-VQE with optimised informationally complete generalised measurements
Anton Nykänen, Matteo A. C. Rossi, Elsi-Mari Borrelli, Sabrina Maniscalco, Guillermo García-Pérez
Physical Review Research, 7, 043114 (2025)
Batched Line Search Strategy for Navigating through Barren Plateaus in Quantum Circuit Training
Jakab Nádori, Gregory Morse, Barna Fülöp Villám, Zita Majnay-Takács, Zoltán Zimborás, Péter Rakyta
Quantum, 9, 1841 (2025)
AEGISS -- Atomic orbital and Entropy-based Guided Inference for Space Selection -- A novel semi-automated active space selection workflow for quantum chemistry and quantum computing applications
Fabio Tarocco, Pi A. B. Haase, Fabijan Pavošević, Vijay Krishna, Leonardo Guidoni, Stefan Knecht, Martina Stella
arXiv:2508.10671
Constrained Nuclear-Electronic Orbital Theory for Quantum Computation
Tanner Culpitt, Zenhua Chen, Fabijan Pavošević, Yang Yang
Low variance estimations of many observables with tensor networks and informationally-complete measurements
Stefano Mangini, Daniel Cavalcanti
Quantum 9, 1812
Approximate quantum circuit compilation for proton-transfer kinetics on quantum processors
Arseny Kovyrshin et al.
arXiv:2507.08996
Practical techniques for high-precision measurements on near-term quantum hardware and applications in molecular energy estimation
Keijo Korhonen, Hetta Vappula, Adam Glos, Marco Cattaneo, Zoltán Zimborás, Elsi-Mari Borrelli, Matteo A. C. Rossi, Guillermo García-Pérez, Daniel Cavalcanti
npj Quantum Information volume 11, 110
Transfer and routing of Gaussian states through quantum complex networks with and without community structure
Markku Hahto, Johannes Nokkala, Guillermo García-Pérez, Sabrina Maniscalco, Jyrki Piilo
Quantum, 9, 1751 (2025)
Piquasso: A Photonic Quantum Computer Simulation Software Platform
Zoltán Kolarovszki et al.
Quantum, 9, 1708 (2025)
Simulation of Fermionic circuits using Majorana Propagation
Aaron Miller, Joachim Favre, Zoë Holmes, Özlem Salehi, Rahul Chakraborty, Anton Nykänen, Zoltán Zimborás, Adam Glos, Guillermo García-Pérez
arXiv:2503.18939
Prog-QAOA: Framework for resource-efficient quantum optimization through classical programs
Bence Bakó, Adam Glos, Özlem Salehi, Zoltán Zimborás
Quantum, 9, 1663 (2025)
Efficient and operational quantifier of non-divisibility in terms of channel discrimination
Ranieri Nery, Nadja K. Bernardes, Daniel Cavalcanti, Rafael Chaves, Cristhiano Duarte
Physical Review A, 111, 022206 (2025)
Myths around quantum computation before full fault tolerance: What no-go theorems rule out and what they don't
Zoltán Zimborás et al.
arXiv:2501.05694
A generic multi-Pauli compilation framework for limited connectivity
Adam Glos, Özlem Salehi
arXiv:2412.06909
Towards Efficient Quantum Computing for Quantum Chemistry: Reducing Circuit Complexity with Transcorrelated and Adaptive Ansatz Techniques
Erika Magnusson, Aaron Fitzpatrick, Stefan Knecht, Martin Rahm, Werner Dobrautz
Faraday Discussions, 254, 402-428 (2024)
Quantum-centric supercomputing for materials science: A perspective on challenges and future directions
Yuri Alexeev et al.
Future Generation Computer Systems, 160, 666-710 (2024)
Small tensor product distributed active space (STP-DAS) framework for relativistic and non-relativistic multiconfiguration calculations: Scaling from 109 on a laptop to 1012 determinants on a supercomputer
Hang Hu, Shiv Upadhyay, Lixin Lu, Andrew J. Jenkins, Tianyuan Zhang, Agam Shayit, Stefan Knecht, Xiaosong Li
Chemical Physics Reviews, 5, 041404
The advent of fully variational quantum eigensolvers using a hybrid multiresolution approach
Fabian Langkabel, Stefan Knecht, Jakob S. Kottmann
arXiv:2410.19116
Tensor network noise characterization for near-term quantum computers
Stefano Mangini, Marco Cattaneo, Daniel Cavalcanti, Sergei Filippov, Matteo A. C. Rossi, Guillermo García-Pérez
Physical Review Research, 6, 033217 (2024)
Estimating molecular thermal averages with the quantum equation of motion and informationally complete measurements
Daniele Morrone, N. Walter Talarico, Marco Cattaneo, Matteo A. C. Rossi
Entropy 26, 722
Classification and transformations of quantum circuit decompositions for permutation operations
Ankit Khandelwal, Handy Kurniawan, Shraddha Aangiras, Özlem Salehi, Adam Glos
Quantum Information Processing, 24 (2025)
Variational Gibbs State Preparation on NISQ devices
Mirko Consiglio, Jacopo Settino, Andrea Giordano, Carlo Mastroianni, Francesco Plastina, Salvatore Lorenzo, Sabrina Maniscalco, John Goold, Tony J. G. Apollaro
Physical Review A, 110, 012445 (2024)
Enhanced observable estimation through classical optimization of informationally overcomplete measurement data: Beyond classical shadows
Joonas Malmi, Keijo Korhonen, Daniel Cavalcanti, Guillermo García-Pérez
Physical Review A, 109, 062412
Quantum-centric strong and dynamical electron correlation: A resource-efficient second-order $N$-electron valence perturbation theory formulation for near-term quantum devices
Aaron Fitzpatrick, N. Walter Talarico, Roberto Di Remigio Eikås, Stefan Knecht
arXiv:2405.15422
Problem-informed Graphical Quantum Generative Learning
Bence Bakó, Dániel T. R. Nagy, Péter Hága, Zsófia Kallus, Zoltán Zimborás
arXiv:2405.14072
Generalized group designs: overcoming the 4-design-barrier and constructing novel unitary 2-designs in arbitrary dimensions
Ágoston Kaposi, Zoltán Kolarovszki, Adrián Solymos, Zoltán Zimborás
arXiv:2405.00919
ΔADAPT-VQE: Toward Accurate Calculation of Excitation Energies on Quantum Computers for BODIPY Molecules With Application in Photodynamic Therapy
Anton Nykänen, Leander Thiessen, Elsi-Mari Borrelli, Vijay Krishna, Stefan Knecht, Fabijan Pavošević
arXiv:2404.16149
Self-Consistent Field Approach for the Variational Quantum Eigensolver: Orbital Optimization Goes Adaptive
Aaron Fitzpatrick, Anton Nykänen, N. Walter Talarico, Alessandro Lunghi, Sabrina Maniscalco, Guillermo García-Pérez, Stefan Knecht
The Journal of Physical Chemistry A, 128, 2843-2856
The variational quantum eigensolver self-consistent field method within a polarizable embedded framework
Erik Rosendahl Kjellgren, Peter Reinholdt, Aaron Fitzpatrick, Walter N. Talarico, Phillip W. K. Jensen, Stephan P. A. Sauer, Sonia Coriani, Stefan Knecht, Jacob Kongsted
The Journal of Chemical Physics, 160, 124114 (2024)
Scalability of quantum error mitigation techniques: from utility to advantage
Sergey N. Filippov, Sabrina Maniscalco, Guillermo García-Pérez
arXiv:2403.13542
High performance Boson Sampling simulation via data-flow engines
Gregory Morse, Tomasz Rybotycki, Ágoston Kaposi, Zoltán Kolarovszki, Uroš Stojčić, Tamás Kozsik, Oskar Mencer, Michał Oszmaniec, Zoltán Zimborás, Péter Rakyta
New Journal of Physics, 26, 033033 (2024)
Treespilation: Architecture- and State-Optimised Fermion-to-Qubit Mappings
Aaron Miller, Adam Glos, Zoltán Zimborás
arXiv:2403.03992
Hamiltonian-oriented homotopy quantum approximate optimization algorithm
Akash Kundu, Ludmila Botelho, Adam Glos
Physical Review A, 109, 022611
Simulating polaritonic ground states on noisy quantum devices
Mohammad Hassan, Fabijan Pavošević, Derek S. Wang, Johannes Flick
The Journal of Physical Chemistry Letters, 15, 1373 (2024)
Calculating the many-body density of states on a digital quantum computer
Alessandro Summer, Cecilia Chiaracane, Mark T. Mitchison, John Goold
Physical Review Research, 6, 013106
Quantum Many-Body Scars in Dual-Unitary Circuits
Leonard Logarić, Shane Dooley, Silvia Pappalardi, John Goold
Physical Review Letters, 132, 010401
Disease Gene Prioritization With Quantum Walks
Harto Saarinen, Mark Goldsmith, Rui-Sheng Wang, Joseph Loscalzo, Sabrina Maniscalco
arXiv:2311.05486
Variational quantum eigensolver boosted by adiabatic connection
Mikuláš Matoušek, Katarzyna Pernal, Fabijan Pavošević, Libor Veis
arXiv:2310.05906
Toward Accurate Post-Born-Oppenheimer Molecular Simulations on Quantum Computers: An Adaptive Variational Eigensolver with Nuclear-Electronic Frozen Natural Orbitals
Anton Nykänen et al.
arXiv:2310.01302
Unitary Coupled-Cluster for Quantum Computation of Molecular Properties in a Strong Magnetic Field
Tanner Culpitt, Erik I. Tellgren, Fabijan Pavosevic
arXiv:2309.12240
Combining the in-medium similarity renormalization group with the density matrix renormalization group: Shell structure and information entropy
A. Tichai, S. Knecht, A. T. Kruppa, Ö. Legeza, C. P. Moca, A. Schwenk, M. A. Werner, G. Zarand
Physics Letters B, 845, 138139 (2023)
Self-consistent quantum measurement tomography based on semidefinite programming
Marco Cattaneo, Matteo A. C. Rossi, Keijo Korhonen, Elsi-Mari Borrelli, Guillermo García-Pérez, Zoltán Zimborás, Daniel Cavalcanti
Physical Review Research, 5, 033154
Spin-Flip Unitary Coupled Cluster Method: Toward Accurate Description of Strong Electron Correlation on Quantum Computers
Fabijan Pavošević, Ivano Tavernelli, Angel Rubio
The Journal of Physical Chemistry Letters, 14, 7876-7882
Bonsai Algorithm: Grow Your Own Fermion-to-Qubit Mappings
Aaron Miller, Zoltán Zimborás, Stefan Knecht, Sabrina Maniscalco, Guillermo García-Pérez
PRX Quantum, 4, 030314
Scalable tensor-network error mitigation for near-term quantum computing
Sergei Filippov, Matea Leahy, Matteo A. C. Rossi, Guillermo García-Pérez
arXiv:2307.11740
Evidence of Kardar-Parisi-Zhang scaling on a digital quantum simulator
Nathan Keenan, Niall F. Robertson, Tara Murphy, Sergiy Zhuk, John Goold
npj Quantum Information, 9, 72
Long-time relaxation of a finite spin bath linearly coupled to a qubit
Jukka P. Pekola, Bayan Karimi, Marco Cattaneo, Sabrina Maniscalco
Open Systems & Information Dynamics, 30, 2350009 (2023)
Experimentally accessible nonseparability criteria for multipartite-entanglement-structure detection
Guillermo García-Pérez, Oskari Kerppo, Matteo A. C. Rossi, Sabrina Maniscalco
Physical Review Research, 5, 013226
Quantum Simulation of Dissipative Collective Effects on Noisy Quantum Computers
Marco Cattaneo, Matteo A.C. Rossi, Guillermo García-Pérez, Roberta Zambrini, Sabrina Maniscalco
PRX Quantum, 4, 010324
Efficient qudit based scheme for photonic quantum computing
Márton Karácsony, László Oroszlány, Zoltán Zimborás
arXiv:2302.07357
Local quantum overlapping tomography
Bruna G. M. Araújo, Márcio M. Taddei, Daniel Cavalcanti, Antonio Acín
Physical Review A, 106, 062441
Matrix product channel: Variationally optimized quantum tensor network to mitigate noise and reduce errors for the variational quantum eigensolver
Sergey Filippov, Boris Sokolov, Matteo A. C. Rossi, Joonas Malmi, Elsi-Mari Borrelli, Daniel Cavalcanti, Sabrina Maniscalco, Guillermo García-Pérez
arXiv:2212.10225
Spatial search by continuous-time quantum walks on renormalized Internet networks
Joonas Malmi, Matteo A. C. Rossi, Guillermo García-Pérez, Sabrina Maniscalco
Physical Review Research, 4, 043185
Steering-based randomness certification with squeezed states and homodyne measurements
Marie Ioannou, Bradley Longstaff, Mikkel V. Larsen, Jonas S. Neergaard-Nielsen, Ulrik L. Andersen, Daniel Cavalcanti, Nicolas Brunner, Jonatan Bohr Brask
Physical Review A, 106, 042414
Adaptive POVM implementations and measurement error mitigation strategies for near-term quantum devices
Adam Glos, Anton Nykänen, Elsi-Mari Borrelli, Sabrina Maniscalco, Matteo A. C. Rossi, Zoltán Zimborás, Guillermo García-Pérez
arXiv:2208.07817
Relativistic Kramers-Unrestricted Exact-Two-Component Density Matrix Renormalization Group
Chad E. Hoyer, Hang Hu, Lixin Lu, Stefan Knecht, Xiaosong Li
The Journal of Physical Chemistry A, 126, 5011-5020
Quantifying Electron Entanglement Faithfully
Lexin Ding, Zoltan Zimboras, Christian Schilling
arXiv:2207.03377
Virtual linear map algorithm for classical boost in near-term quantum computing
Guillermo García-Pérez, Elsi-Mari Borrelli, Matea Leahy, Joonas Malmi, Sabrina Maniscalco, Matteo A. C. Rossi, Boris Sokolov, Daniel Cavalcanti
arXiv:2207.01360
Quantum network medicine: rethinking medicine with network science and quantum algorithms
Sabrina Maniscalco et al.
arXiv:2206.12405
Learning to Measure: Adaptive Informationally Complete Generalized Measurements for Quantum Algorithms
Guillermo García-Pérez, Matteo A.C. Rossi, Boris Sokolov, Francesco Tacchino, Panagiotis Kl. Barkoutsos, Guglielmo Mazzola, Ivano Tavernelli, Sabrina Maniscalco
PRX Quantum, 2, 040342