activity
20202026
most citedQuantum HF/DFT-Embedding Algorithms for Electronic Structure Calculations: Scaling up to Complex Molecular Systems

66 citations · 143 across the 10 of their papers we have counts for

collaborators

10 papers

quant-ph2026

Lindblad Multiproduct Formulas

Niall F. Robertson, Andrea D'Urbano, Anton Dekusar +11

We introduce Lindblad Multiproduct Formulas: a quantum error mitigation technique that uses two-dimensional tensor networks contracted with loop-corrected belief propagation. The q…

quant-ph2026

Observable Estimation in the Absence of Classical Verification

Samantha V. Barron, Bradley Mitchell, Vinay Tripathi +45

The predictive success of quantum mechanics underpins many areas of modern science, even as the exact simulation of large, interacting quantum systems remains beyond the reach of c…

quant-ph2026

Computing noise-canceling observables via Pauli propagation

Andrew Eddins, Caleb Johnson, Alberto Baiardi +8

The pursuit of quantum advantage is driving the co-evolution of quantum processors and classical simulation methods. Despite advances in scale and quality, the accuracy of quantum…

quant-ph2026

Stabilizer-based quantum simulation of fermion dynamics with local qubit encodings

Anthony Gandon, Samuele Piccinelli, Max Rossmannek +4

Simulating the dynamical properties of large-scale many-fermion systems is a longstanding goal of quantum chemistry, material science and condensed matter. Local fermion-to-qubit e…

quant-ph2025★ 3 cited

Quantum chemistry with provable convergence via randomized sample-based Krylov quantum diagonalization

Samuele Piccinelli, Alberto Baiardi, Stefano Barison +12

Quantum algorithms based on classical processing of individual samples have recently emerged as a promising route to perform large-scale quantum-chemical calculations on pre-fault-…

quant-ph2025★ 1 cited

Improved Quantum Computation using Operator Backpropagation

Bryce Fuller, Minh C. Tran, Danylo Lykov +10

Decoherence of quantum hardware is currently limiting its practical applications. At the same time, classical algorithms for simulating quantum circuits have progressed substantial…

quant-ph2024

Quantum computing in spin-adapted representations for efficient simulations of spin systems

Anthony Gandon, Alberto Baiardi, Max Rossmannek +2

Exploiting inherent symmetries is a common and effective approach to speed up the simulation of quantum systems. However, efficiently accounting for non-Abelian symmetries, such as…

physics.chem-ph2024★ 13 cited

A general framework for active space embedding methods: applications in quantum computing

Stefano Battaglia, Max Rossmannek, Vladimir V. Rybkin +2

We developed a general framework for hybrid quantum-classical computing of molecular and periodic embedding approaches based on an orbital space separation of the fragment and envi…

physics.chem-ph2023★ 60 cited

Quantum Embedding Method for the Simulation of Strongly Correlated Systems on Quantum Computers

Max Rossmannek, Fabijan Pavošević, Angel Rubio +1

Quantum computing has emerged as a promising platform for simulating strongly correlated systems in chemistry, for which the standard quantum chemistry methods are either qualitati…

quant-ph2020★ 66 cited

Quantum HF/DFT-Embedding Algorithms for Electronic Structure Calculations: Scaling up to Complex Molecular Systems

Max Rossmannek, Panagiotis Kl. Barkoutsos, Pauline J. Ollitrault +1

In the near future, material and drug design may be aided by quantum computer assisted simulations. These have the potential to target chemical systems intractable by the most powe…