E-LIB Suche - Ergebnisse für: Pavošević, Fabijan

1

Toward Accurate Calculation of Excitation Energies on Quant..:

Nykänen, Anton ; Thiessen, Leander ; Borrelli, Elsi-Mari...
The Journal of Physical Chemistry Letters. 15 (2024) 28 - p. 7111-7117 , 2024

Link: https://doi.org/10.1021/..

2

Variational Quantum Eigensolver Boosted by Adiabatic Connec..:

Matoušek, Mikuláš ; Pernal, Katarzyna ; Pavošević, Fabijan.
The Journal of Physical Chemistry A. 128 (2024) 3 - p. 687-698 , 2024

Link: https://doi.org/10.1021/..

3

Simulating Polaritonic Ground States on Noisy Quantum Devic..:

Hassan, Mohammad ; Pavošević, Fabijan ; Wang, Derek S..
The Journal of Physical Chemistry Letters. 15 (2024) 5 - p. 1373-1381 , 2024

Link: https://doi.org/10.1021/..

4

Computational study on the catalytic control of endo/exo Di..:

Pavošević, Fabijan ; Smith, Robert L. ; Rubio, Angel
Nature Communications. 14 (2023) 1 - p. , 2023

Link: https://doi.org/10.1038/..

5

Cavity Click Chemistry: Cavity-Catalyzed Azide–Alkyne Cyclo..:

Pavošević, Fabijan ; Smith, Robert L. ; Rubio, Angel
The Journal of Physical Chemistry A. 127 (2023) 48 - p. 10184-10188 , 2023

Link: https://doi.org/10.1021/..

6

Unitary coupled-cluster for quantum computation of molecula..:

Culpitt, Tanner ; Tellgren, Erik I. ; Pavošević, Fabijan
The Journal of Chemical Physics. 159 (2023) 20 - p. , 2023

Link: https://doi.org/10.1063/..

7

Spin-Flip Unitary Coupled Cluster Method: Toward Accurate D..:

Pavošević, Fabijan ; Tavernelli, Ivano ; Rubio, Angel
The Journal of Physical Chemistry Letters. 14 (2023) 35 - p. 7876-7882 , 2023

Link: https://doi.org/10.1021/..

8

Quantum Embedding Method for the Simulation of Strongly Cor..:

Rossmannek, Max ; Pavošević, Fabijan ; Rubio, Angel.
The Journal of Physical Chemistry Letters. 14 (2023) 14 - p. 3491-3497 , 2023

Link: https://doi.org/10.1021/..

9

SparseMaps—A systematic infrastructure for reduced-scaling ..:

Guo, Yang ; Pavošević, Fabijan ; Sivalingam, Kantharuban...
The Journal of Chemical Physics. 158 (2023) 12 - p. , 2023

Link: https://doi.org/10.1063/..

10

Projection-Based Density Matrix Renormalization Group in De..:

Beran, Pavel ; Pernal, Katarzyna ; Pavošević, Fabijan.
The Journal of Physical Chemistry Letters. 14 (2023) 3 - p. 716-722 , 2023

Link: https://doi.org/10.1021/..

11

Triple electron–electron–proton excitations and second-orde..:

Pavošević, Fabijan ; Hammes-Schiffer, Sharon
The Journal of Chemical Physics. 157 (2022) 7 - p. , 2022

Link: https://doi.org/10.1063/..

12

Wavefunction embedding for molecular polaritons:

Pavošević, Fabijan ; Rubio, Angel
The Journal of Chemical Physics. 157 (2022) 9 - p. , 2022

Link: https://doi.org/10.1063/..

13

Cavity-Modulated Proton Transfer Reactions:

Pavošević, Fabijan ; Hammes-Schiffer, Sharon ; Rubio, Angel.
Journal of the American Chemical Society. 144 (2022) 11 - p. 4995-5002 , 2022

Link: https://doi.org/10.1021/..

14

Substituents affect the mechanism of photochemical E-Z isom..:

Mlakić, Milena ; Mandić, Leo ; Basarić, Nikola...
Journal of Photochemistry and Photobiology A: Chemistry. 422 (2022) - p. 113567 , 2022

Link: https://doi.org/10.1016/..

15

Publisher's Note: "Triple electron–electron–proton excitati..:

Pavošević, Fabijan ; Hammes-Schiffer, Sharon
The Journal of Chemical Physics. 157 (2022) 13 - p. , 2022

Link: https://doi.org/10.1063/..