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Journal of Chemical Theory and Computation
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September 19, 2017
Combining Density Functional Theory and Green's Function Theory: Range-Separated, Nonlocal, Dynamic, and Orbital-Dependent Hybrid Functional
Alexei A Kananenka, Dominika Zgid
The Journal of Chemical Physics
|
July 2, 2018
Fermi resonance in OH-stretch vibrational spectroscopy of liquid water and the water hexamer
Alexei A Kananenka, J L Skinner
Physical Chemistry Chemical Physics : PCCP
|
August 8, 2020
Unusually strong hydrogen bond cooperativity in particular (H<sub>2</sub>O)<sub>20</sub> clusters
Alexei A Kananenka, J L Skinner
The Journal of Chemical Physics
|
January 3, 2016
Communication: Towards ab initio self-energy embedding theory in quantum chemistry
Tran Nguyen Lan, Alexei A Kananenka, Dominika Zgid
The Journal of Physical Chemistry Letters
|
March 5, 2021
Convolutional Neural Networks for Long Time Dissipative Quantum Dynamics
Luis E Herrera Rodríguez, Alexei A Kananenka
Physical Review. E
|
February 20, 2025
Systematic study of the role of dissipative environment in regulating entanglement and exciton delocalization in the Fenna-Matthews-Olson complex
Luis E Herrera Rodríguez, Alexei A Kananenka
The Journal of Chemical Physics
|
November 1, 2024
A short trajectory is all you need: A transformer-based model for long-time dissipative quantum dynamics
Luis E Herrera Rodríguez, Alexei A Kananenka
The Journal of Chemical Physics
|
May 24, 2015
Fractional charge and spin errors in self-consistent Green's function theory
Jordan J Phillips, Alexei A Kananenka, Dominika Zgid
Journal of Chemical Theory and Computation
|
January 7, 2016
Efficient Temperature-Dependent Green's Functions Methods for Realistic Systems: Compact Grids for Orthogonal Polynomial Transforms
Alexei A Kananenka, Jordan J Phillips, Dominika Zgid
Journal of Chemical Theory and Computation
|
September 2, 2016
Rigorous Ab Initio Quantum Embedding for Quantum Chemistry Using Green's Function Theory: Screened Interaction, Nonlocal Self-Energy Relaxation, Orbital Basis, and Chemical Accuracy
Tran Nguyen Lan, Alexei A Kananenka, Dominika Zgid
Page
of 4
Search research articles
Search
Showing results (1-10 of 33) with videos related to
Sort By:
Page
of 4
Journal of Chemical Theory and Computation
|
September 19, 2017
Combining Density Functional Theory and Green's Function Theory: Range-Separated, Nonlocal, Dynamic, and Orbital-Dependent Hybrid Functional
Alexei A Kananenka, Dominika Zgid
The Journal of Chemical Physics
|
July 2, 2018
Fermi resonance in OH-stretch vibrational spectroscopy of liquid water and the water hexamer
Alexei A Kananenka, J L Skinner
Physical Chemistry Chemical Physics : PCCP
|
August 8, 2020
Unusually strong hydrogen bond cooperativity in particular (H<sub>2</sub>O)<sub>20</sub> clusters
Alexei A Kananenka, J L Skinner
The Journal of Chemical Physics
|
January 3, 2016
Communication: Towards ab initio self-energy embedding theory in quantum chemistry
Tran Nguyen Lan, Alexei A Kananenka, Dominika Zgid
The Journal of Physical Chemistry Letters
|
March 5, 2021
Convolutional Neural Networks for Long Time Dissipative Quantum Dynamics
Luis E Herrera Rodríguez, Alexei A Kananenka
Physical Review. E
|
February 20, 2025
Systematic study of the role of dissipative environment in regulating entanglement and exciton delocalization in the Fenna-Matthews-Olson complex
Luis E Herrera Rodríguez, Alexei A Kananenka
The Journal of Chemical Physics
|
November 1, 2024
A short trajectory is all you need: A transformer-based model for long-time dissipative quantum dynamics
Luis E Herrera Rodríguez, Alexei A Kananenka
The Journal of Chemical Physics
|
May 24, 2015
Fractional charge and spin errors in self-consistent Green's function theory
Jordan J Phillips, Alexei A Kananenka, Dominika Zgid
Journal of Chemical Theory and Computation
|
January 7, 2016
Efficient Temperature-Dependent Green's Functions Methods for Realistic Systems: Compact Grids for Orthogonal Polynomial Transforms
Alexei A Kananenka, Jordan J Phillips, Dominika Zgid
Journal of Chemical Theory and Computation
|
September 2, 2016
Rigorous Ab Initio Quantum Embedding for Quantum Chemistry Using Green's Function Theory: Screened Interaction, Nonlocal Self-Energy Relaxation, Orbital Basis, and Chemical Accuracy
Tran Nguyen Lan, Alexei A Kananenka, Dominika Zgid
Page
of 4