Patrick Ettenhuber

Kvant (Slovakia) — SK

Physics and Astronomy · Physical Sciences

10h-index2.6kcitations20works2.32yr avg
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Research Topics

Advanced Chemical Physics Studies(7), Quantum Computing Algorithms and Architecture(6), Spectroscopy and Quantum Chemical Studies(6), Quantum Information and Cryptography(4), Molecular spectroscopy and chirality(3)

Publications20 total

Fault-Tolerant Quantum Computations of Vibrational Wave Functions
Journal of Chemical Theory and Computation·2025
Fault-tolerant quantum computations of vibrational wave functions
arXiv (Cornell University)·2025· 1 citedOpen Access
Calculating the Energy Profile of an Enzymatic Reaction on a Quantum Computer
Journal of Chemical Theory and Computation·2025· 5 cited
Calculating the energy profile of an enzymatic reaction on a quantum computer
arXiv (Cornell University)·2024· 2 citedOpen Access
Vibrational ADAPT-VQE: Critical points lead to problematic convergence
The Journal of Chemical Physics·2024· 6 cited
Vibrational ADAPT-VQE: Critical points leads to problematic convergence
arXiv (Cornell University)·2024Open Access
Fermionic adaptive sampling theory for variational quantum eigensolvers
Physical review. A/Physical review, A·2023· 6 cited
Fermionic Adaptive Sampling Theory for Variational Quantum Eigensolvers
arXiv (Cornell University)·2023Open Access
A local framework for calculating coupled cluster singles and doubles excitation energies (LoFEx-CCSD)
Molecular Physics·2017· 25 citedOpen Access
Massively parallel and linear-scaling algorithm for second-order Møller–Plesset perturbation theory applied to the study of supramolecular wires
Computer Physics Communications·2016· 22 citedOpen Access
Orbital spaces in the divide-expand-consolidate coupled cluster method
The Journal of Chemical Physics·2016· 25 citedOpen Access
Efficient linear-scaling second-order Møller-Plesset perturbation theory: The divide–expand–consolidate RI-MP2 model
The Journal of Chemical Physics·2016· 53 citedOpen Access
Linear-Scaling Coupled Cluster with Perturbative Triple Excitations: The Divide–Expand–Consolidate CCSD(T) Model
Journal of Chemical Theory and Computation·2015· 94 citedOpen Access
Size Matters: Enabling large-scale coupled cluster calculations
2015
The same number of optimized parameters scheme for determining intermolecular interaction energies
The Journal of Chemical Physics·2015· 17 citedOpen Access
Discarding Information from Previous Iterations in an Optimal Way To Solve the Coupled Cluster Amplitude Equations
Journal of Chemical Theory and Computation·2015· 20 citedOpen Access
DALTON2015 { lsDalton Program Manual
2015
The <scp>D</scp>alton quantum chemistry program system
Wiley Interdisciplinary Reviews Computational Molecular Science·2013· 1.5k citedOpen Access
The divide–expand–consolidate MP2 scheme goes massively parallel
Molecular Physics·2013· 47 cited
X-ray Emission Spectroscopy Evidences a Central Carbon in the Nitrogenase Iron-Molybdenum Cofactor
Science·2011· 867 citedOpen Access

Frequent Co-authors

Kasper Kristensen(9), Marco Majland(8), N. T. Zinner(8), Poul Jørgensen(7), Thomas Kjærgaard(6), Pablo Baudin(6), Ove Christiansen(5), Janus J. Eriksen(5), Simen Reine(4), Frank Jensen(3), Irfansha Shaik(3), Radovan Bast(2), Sonia Coriani(2), Trygve Helgaker(2), Ida‐Marie Høyvik(2), Branislav Jansı́k(2), Andreas Krapp(2), Jeppe Olsen(2), Filip Pawłowski(2), Andrew M. Teale(2)