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Aspuru-Guzik, Alan
832
results:
Search for persons
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Online (831)
Print (1)
Mediatypes
Books (1)
Articles (Online) (360)
Bookchapter (Online) (4)
OpenAccess-fulltext (467)
Languages
english (490)
spanish (3)
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?
1
Application of established computational techniques to iden..:
Nigam, AkshatKumar
;
Hurley, Matthew F. D.
;
Li, Fengling
...
Digital Discovery. , 2024
Link:
https://doi.org/10.1039/..
?
2
ChemOS 2.0: An orchestration architecture for chemical self..:
Sim, Malcolm
;
Vakili, Mohammad Ghazi
;
Strieth-Kalthoff, Felix
...
Matter. , 2024
Link:
https://doi.org/10.1016/..
?
3
High-Order Randomized Compiler for Hamiltonian Simulation:
Nakaji, Kouhei
;
Bagherimehrab, Mohsen
;
Aspuru-Guzik, Alán
PRX Quantum. 5 (2024) 2 - p. , 2024
Link:
https://doi.org/10.1103/..
?
4
Accelerating discovery in organic redox flow batteries:
Cao, Yang
;
Aspuru-Guzik, Alán
Nature Computational Science. , 2024
Link:
https://doi.org/10.1038/..
?
5
Alternative CNDOL Fockians for fast and accurate descriptio..:
Montero-Cabrera, Luis A.
;
Montero-Alejo, Ana L.
;
Aspuru-Guzik, Alan
...
The Journal of Chemical Physics. 160 (2024) 21 - p. , 2024
Link:
https://doi.org/10.1063/..
?
6
Chemspyd: an open-source python interface for Chemspeed rob..:
Seifrid, Martin
;
Strieth-Kalthoff, Felix
;
Haddadnia, Mohammad
...
Digital Discovery. , 2024
Link:
https://doi.org/10.1039/..
?
7
Drug design on quantum computers:
Santagati, Raffaele
;
Aspuru-Guzik, Alan
;
Babbush, Ryan
...
Nature Physics. , 2024
Link:
https://doi.org/10.1038/..
?
8
Computational Investigations of the Detailed Mechanism of R..:
Valverde, Danillo
;
Ser, Cher Tian
;
Ricci, Gaetano
...
ACS Applied Materials & Interfaces. , 2024
Link:
https://doi.org/10.1021/..
?
9
Towards equilibrium molecular conformation generation with ..:
Volokhova, Alexandra
;
Koziarski, Michał
;
Hernández-García, Alex
...
Digital Discovery. 3 (2024) 5 - p. 1038-1047 , 2024
Link:
https://doi.org/10.1039/..
?
10
Artificial Intelligence for Retrosynthetic Planning Needs B..:
Strieth-Kalthoff, Felix
;
Szymkuć, Sara
;
Molga, Karol
...
Journal of the American Chemical Society. , 2024
Link:
https://doi.org/10.1021/..
?
11
Beyond molecular structure: critically assessing machine le..:
Seifrid, Martin
;
Lo, Stanley
;
Choi, Dylan G.
...
Journal of Materials Chemistry A. 12 (2024) 24 - p. 14540-14558 , 2024
Link:
https://doi.org/10.1039/..
?
12
Determining 3D structure from molecular formula and isotopo..:
Cheng, Austin H.
;
Lo, Alston
;
Miret, Santiago
..
The Journal of Chemical Physics. 160 (2024) 12 - p. , 2024
Link:
https://doi.org/10.1063/..
?
13
Allosteric inhibition of tRNA synthetase Gln4 by N-pyrimidi..:
Puumala, Emily
;
Sychantha, David
;
Lach, Elizabeth
...
Cell Chemical Biology. 31 (2024) 4 - p. 760-775.e17 , 2024
Link:
https://doi.org/10.1016/..
?
14
DELFI: a computer oracle for recommending density functiona..:
Avagliano, Davide
;
Skreta, Marta
;
Arellano-Rubach, Sebastian
.
Chemical Science. 15 (2024) 12 - p. 4489-4503 , 2024
Link:
https://doi.org/10.1039/..
?
15
Ultrafast Computational Screening of Molecules with Inverte..:
Jorner, Kjell
;
Pollice, Robert
;
Lavigne, Cyrille
.
The Journal of Physical Chemistry A. 128 (2024) 12 - p. 2445-2456 , 2024
Link:
https://doi.org/10.1021/..
1-15