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Baiardi, Alberto
63
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1
Nonadiabatic Molecular Dynamics with Fermionic Subspace-Exp..:
Gandon, Anthony
;
Baiardi, Alberto
;
Ollitrault, Pauline
.
Journal of Chemical Theory and Computation. , 2024
Link:
https://doi.org/10.1021/..
?
2
The odd-number cyclo[13]carbon and its dimer, cyclo[26]carb..:
Albrecht, Florian
;
Rončević, Igor
;
Gao, Yueze
...
Science. 384 (2024) 6696 - p. 677-682 , 2024
Link:
https://doi.org/10.1126/..
?
3
Vibrational Entanglement through the Lens of Quantum Inform..:
Glaser, Nina
;
Baiardi, Alberto
;
Lieberherr, Annina Z.
.
The Journal of Physical Chemistry Letters. 15 (2024) 27 - p. 6958-6965 , 2024
Link:
https://doi.org/10.1021/..
?
4
Second-Order Self-Consistent Field Algorithms: From Classic..:
Feldmann, Robin
;
Baiardi, Alberto
;
Reiher, Markus
Journal of Chemical Theory and Computation. 19 (2023) 3 - p. 856-873 , 2023
Link:
https://doi.org/10.1021/..
?
5
Quantum Computing for Molecular Biology**:
Baiardi, Alberto
;
Christandl, Matthias
;
Reiher, Markus
ChemBioChem. 24 (2023) 13 - p. , 2023
Link:
https://doi.org/10.1002/..
?
6
The OpenMolcas Web: A Community-Driven Approach to Advancin..:
Li Manni, Giovanni
;
Fdez. Galván, Ignacio
;
Alavi, Ali
...
Journal of Chemical Theory and Computation. 19 (2023) 20 - p. 6933-6991 , 2023
Link:
https://doi.org/10.1021/..
?
7
Symmetry-Projected Nuclear-Electronic Hartree–Fock: Elimina..:
Feldmann, Robin
;
Baiardi, Alberto
;
Reiher, Markus
The Journal of Physical Chemistry A. 127 (2023) 42 - p. 8943-8954 , 2023
Link:
https://doi.org/10.1021/..
?
8
Flexible DMRG-Based Framework for Anharmonic Vibrational Ca..:
Glaser, Nina
;
Baiardi, Alberto
;
Reiher, Markus
Journal of Chemical Theory and Computation. 19 (2023) 24 - p. 9329-9343 , 2023
Link:
https://doi.org/10.1021/..
?
9
Quantum Proton Effects from Density Matrix Renormalization ..:
Feldmann, Robin
;
Muolo, Andrea
;
Baiardi, Alberto
.
Journal of Chemical Theory and Computation. 18 (2022) 1 - p. 234-250 , 2022
Link:
https://doi.org/10.1021/..
?
10
Explicitly Correlated Electronic Structure Calculations wit..:
Baiardi, Alberto
;
Lesiuk, Michał
;
Reiher, Markus
Journal of Chemical Theory and Computation. 18 (2022) 7 - p. 4203-4217 , 2022
Link:
https://doi.org/10.1021/..
?
11
Expansive Quantum Mechanical Exploration of Chemical Reacti..:
Baiardi, Alberto
;
Grimmel, Stephanie A.
;
Steiner, Miguel
...
Accounts of Chemical Research. 55 (2021) 1 - p. 35-43 , 2021
Link:
https://doi.org/10.1021/..
?
12
Excited-State DMRG Made Simple with FEAST:
Baiardi, Alberto
;
Kelemen, Anna Klára
;
Reiher, Markus
Journal of Chemical Theory and Computation. 18 (2021) 1 - p. 415-430 , 2021
Link:
https://doi.org/10.1021/..
?
13
Simplified State Interaction for Matrix Product State Wave ..:
Freitag, Leon
;
Baiardi, Alberto
;
Knecht, Stefan
.
Journal of Chemical Theory and Computation. 17 (2021) 12 - p. 7477-7485 , 2021
Link:
https://doi.org/10.1021/..
?
14
Electron Dynamics with the Time-Dependent Density Matrix Re..:
Baiardi, Alberto
Journal of Chemical Theory and Computation. 17 (2021) 6 - p. 3320-3334 , 2021
Link:
https://doi.org/10.1021/..
?
15
Transcorrelated density matrix renormalization group:
Baiardi, Alberto
;
Reiher, Markus
The Journal of Chemical Physics. 153 (2020) 16 - p. , 2020
Link:
https://doi.org/10.1063/..
1-15