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Baiardi, Alberto
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1

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/..
 
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2

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/..
 
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3

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/..
 
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4

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/..
 
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5

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/..
 
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6

Quantum Computing for Molecular Biology**:

Baiardi, Alberto ; Christandl, Matthias ; Reiher, Markus
ChemBioChem.  24 (2023)  13 - p. , 2023
Link: https://doi.org/10.1002/..
 
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7

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/..
 
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8

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/..
 
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9

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/..
 
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10

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/..
 
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11

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/..
 
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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/..
 
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13

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/..
 
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14

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/..
 
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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/..
 
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