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Journal of Chemical Theory and Computation
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November 18, 2015
Discarding Information from Previous Iterations in an Optimal Way To Solve the Coupled Cluster Amplitude Equations
Patrick Ettenhuber, Poul Jørgensen
The Journal of Chemical Physics
|
April 18, 2024
Vibrational ADAPT-VQE: Critical points lead to problematic convergence
Marco Majland, Patrick Ettenhuber, Nikolaj Thomas Zinner, et al.
The Journal of Chemical Physics
|
February 8, 2016
Efficient linear-scaling second-order Møller-Plesset perturbation theory: The divide-expand-consolidate RI-MP2 model
Pablo Baudin, Patrick Ettenhuber, Simen Reine, et al.
The Journal of Chemical Physics
|
May 2, 2016
Orbital spaces in the divide-expand-consolidate coupled cluster method
Patrick Ettenhuber, Pablo Baudin, Thomas Kjærgaard, et al.
The Journal of Chemical Physics
|
March 23, 2015
The same number of optimized parameters scheme for determining intermolecular interaction energies
Kasper Kristensen, Patrick Ettenhuber, Janus Juul Eriksen, et al.
Journal of Chemical Theory and Computation
|
November 18, 2015
Linear-Scaling Coupled Cluster with Perturbative Triple Excitations: The Divide-Expand-Consolidate CCSD(T) Model
Janus J Eriksen, Pablo Baudin, Patrick Ettenhuber, et al.
Journal of Chemical Theory and Computation
|
December 22, 2025
Fault-Tolerant Quantum Computations of Vibrational Wave Functions
Marco Majland, Rasmus Berg Jensen, Patrick Ettenhuber, et al.
Science (New York, N.Y.)
|
November 19, 2011
X-ray emission spectroscopy evidences a central carbon in the nitrogenase iron-molybdenum cofactor
Kyle M Lancaster, Michael Roemelt, Patrick Ettenhuber, et al.
Journal of Chemical Theory and Computation
|
March 31, 2025
Calculating the Energy Profile of an Enzymatic Reaction on a Quantum Computer
Patrick Ettenhuber, Mads Bøttger Hansen, Pier Paolo Poier, et al.
Wiley Interdisciplinary Reviews. Computational Molecular Science
|
October 14, 2014
The Dalton quantum chemistry program system
Kestutis Aidas, Celestino Angeli, Keld L Bak, et al.
Page
of 1
Search research articles
Search
Showing results (1-10 of 10) with videos related to
Sort By:
Page
of 1
Journal of Chemical Theory and Computation
|
November 18, 2015
Discarding Information from Previous Iterations in an Optimal Way To Solve the Coupled Cluster Amplitude Equations
Patrick Ettenhuber, Poul Jørgensen
The Journal of Chemical Physics
|
April 18, 2024
Vibrational ADAPT-VQE: Critical points lead to problematic convergence
Marco Majland, Patrick Ettenhuber, Nikolaj Thomas Zinner, et al.
The Journal of Chemical Physics
|
February 8, 2016
Efficient linear-scaling second-order Møller-Plesset perturbation theory: The divide-expand-consolidate RI-MP2 model
Pablo Baudin, Patrick Ettenhuber, Simen Reine, et al.
The Journal of Chemical Physics
|
May 2, 2016
Orbital spaces in the divide-expand-consolidate coupled cluster method
Patrick Ettenhuber, Pablo Baudin, Thomas Kjærgaard, et al.
The Journal of Chemical Physics
|
March 23, 2015
The same number of optimized parameters scheme for determining intermolecular interaction energies
Kasper Kristensen, Patrick Ettenhuber, Janus Juul Eriksen, et al.
Journal of Chemical Theory and Computation
|
November 18, 2015
Linear-Scaling Coupled Cluster with Perturbative Triple Excitations: The Divide-Expand-Consolidate CCSD(T) Model
Janus J Eriksen, Pablo Baudin, Patrick Ettenhuber, et al.
Journal of Chemical Theory and Computation
|
December 22, 2025
Fault-Tolerant Quantum Computations of Vibrational Wave Functions
Marco Majland, Rasmus Berg Jensen, Patrick Ettenhuber, et al.
Science (New York, N.Y.)
|
November 19, 2011
X-ray emission spectroscopy evidences a central carbon in the nitrogenase iron-molybdenum cofactor
Kyle M Lancaster, Michael Roemelt, Patrick Ettenhuber, et al.
Journal of Chemical Theory and Computation
|
March 31, 2025
Calculating the Energy Profile of an Enzymatic Reaction on a Quantum Computer
Patrick Ettenhuber, Mads Bøttger Hansen, Pier Paolo Poier, et al.
Wiley Interdisciplinary Reviews. Computational Molecular Science
|
October 14, 2014
The Dalton quantum chemistry program system
Kestutis Aidas, Celestino Angeli, Keld L Bak, et al.
Page
of 1