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Physical Chemistry Chemical Physics : PCCP
|
March 22, 2016
Analytical gradients for excitation energies from frozen-density embedding
Arseny Kovyrshin, Johannes Neugebauer
The Journal of Chemical Physics
|
December 10, 2017
Self-adaptive tensor network states with multi-site correlators
Arseny Kovyrshin, Markus Reiher
The Journal of Chemical Physics
|
November 9, 2010
State-selective optimization of local excited electronic states in extended systems
Arseny Kovyrshin, Johannes Neugebauer
Physical Chemistry Chemical Physics : PCCP
|
May 24, 2012
Selective TDDFT with automatic removal of ghost transitions: application to a perylene-dye-sensitized solar cell model
Arseny Kovyrshin, Filippo De Angelis, Johannes Neugebauer
Drug Discovery Today
|
March 7, 2025
Prioritizing quantum computing use cases in the drug discovery and development pipeline
Arseny Kovyrshin, Lars Tornberg, Jason Crain, et al.
The Journal of Chemical Physics
|
June 5, 2023
A quantum computing implementation of nuclearelectronic orbital (NEO) theory: Toward an exact pre-Born-Oppenheimer formulation of molecular quantum systems
Arseny Kovyrshin, Mårten Skogh, Anders Broo, et al.
Chimia
|
May 1, 2016
New Approaches for ab initio Calculations of Molecules with Strong Electron Correlation
Stefan Knecht, Erik Donovan Hedegård, Sebastian Keller, et al.
The Journal of Physical Chemistry Letters
|
August 1, 2023
Nonadiabatic Nuclear-Electron Dynamics: A Quantum Computing Approach
Arseny Kovyrshin, Mårten Skogh, Lars Tornberg, et al.
Journal of Chemical Theory and Computation
|
December 11, 2023
Toward Accurate Post-Born-Oppenheimer Molecular Simulations on Quantum Computers: An Adaptive Variational Eigensolver with Nuclear-Electronic Frozen Natural Orbitals
Anton Nykänen, Aaron Miller, Walter Talarico, et al.
Physical Chemistry Chemical Physics : PCCP
|
January 14, 2026
Approximate quantum circuit compilation for proton-transfer kinetics on quantum processors
Arseny Kovyrshin, Dilhan Manawadu, Edoardo Altamura, et al.
Page
of 1
Search research articles
Search
Showing results (1-10 of 10) with videos related to
Sort By:
Page
of 1
Physical Chemistry Chemical Physics : PCCP
|
March 22, 2016
Analytical gradients for excitation energies from frozen-density embedding
Arseny Kovyrshin, Johannes Neugebauer
The Journal of Chemical Physics
|
December 10, 2017
Self-adaptive tensor network states with multi-site correlators
Arseny Kovyrshin, Markus Reiher
The Journal of Chemical Physics
|
November 9, 2010
State-selective optimization of local excited electronic states in extended systems
Arseny Kovyrshin, Johannes Neugebauer
Physical Chemistry Chemical Physics : PCCP
|
May 24, 2012
Selective TDDFT with automatic removal of ghost transitions: application to a perylene-dye-sensitized solar cell model
Arseny Kovyrshin, Filippo De Angelis, Johannes Neugebauer
Drug Discovery Today
|
March 7, 2025
Prioritizing quantum computing use cases in the drug discovery and development pipeline
Arseny Kovyrshin, Lars Tornberg, Jason Crain, et al.
The Journal of Chemical Physics
|
June 5, 2023
A quantum computing implementation of nuclearelectronic orbital (NEO) theory: Toward an exact pre-Born-Oppenheimer formulation of molecular quantum systems
Arseny Kovyrshin, Mårten Skogh, Anders Broo, et al.
Chimia
|
May 1, 2016
New Approaches for ab initio Calculations of Molecules with Strong Electron Correlation
Stefan Knecht, Erik Donovan Hedegård, Sebastian Keller, et al.
The Journal of Physical Chemistry Letters
|
August 1, 2023
Nonadiabatic Nuclear-Electron Dynamics: A Quantum Computing Approach
Arseny Kovyrshin, Mårten Skogh, Lars Tornberg, et al.
Journal of Chemical Theory and Computation
|
December 11, 2023
Toward Accurate Post-Born-Oppenheimer Molecular Simulations on Quantum Computers: An Adaptive Variational Eigensolver with Nuclear-Electronic Frozen Natural Orbitals
Anton Nykänen, Aaron Miller, Walter Talarico, et al.
Physical Chemistry Chemical Physics : PCCP
|
January 14, 2026
Approximate quantum circuit compilation for proton-transfer kinetics on quantum processors
Arseny Kovyrshin, Dilhan Manawadu, Edoardo Altamura, et al.
Page
of 1