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Luigi Genovese
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1

Exploratory data science on supercomputers for quantum mech..:

Dawson, William ; Beal, Louis ; Ratcliff, Laura E...
Electronic Structure.  , 2024
Link: https://doi.org/10.1088/..
 
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2

Roadmap on methods and software for electronic structure ba..:

Blum, Volker ; Asahi, Ryoji ; Autschbach, Jochen...
Electronic Structure.  , 2024
Link: https://doi.org/10.1088/..
 
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3

Biochemical and Phylogenetic Analysis of Italian Phaseolus ..:

Peddio, Stefania ; Lorrai, Sonia ; Padiglia, Alessandra...
Plants.  12 (2023)  16 - p. 2918 , 2023
Link: https://doi.org/10.3390/..
 
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4

Protein–ligand interactions from a quantum fragmentation pe..:

Genovese, Luigi ; Dawson, William ; Nakajima, Takahito...
The Journal of Chemical Physics.  158 (2023)  21 - p. , 2023
Link: https://doi.org/10.1063/..
 
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5

How to verify the precision of density-functional-theory im..:

Bosoni, Emanuele ; Beal, Louis ; Bercx, Marnik...
Nature Reviews Physics.  6 (2023)  1 - p. 45-58 , 2023
Link: https://doi.org/10.1038/..
 
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6

Experimental–theoretical study of laccase as a detoxifier o..:

Zaccaria, Marco ; Dawson, William ; Russel Kish, Darius...
Scientific Reports.  13 (2023)  1 - p. , 2023
Link: https://doi.org/10.1038/..
 
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7

Efficient extraction of resonant states in systems with def..:

Duchemin, Ivan ; Genovese, Luigi ; Letournel, Eloïse..
Journal of Computational Physics.  477 (2023)  - p. 111928 , 2023
Link: https://doi.org/10.1016/..
 
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8

Roadmap on electronic structure codes in the exascale era:

Gavini, Vikram ; Baroni, Stefano ; Blum, Volker...
Modelling and Simulation in Materials Science and Engineering.  31 (2023)  6 - p. 063301 , 2023
Link: https://doi.org/10.1088/..
 
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9

Complexity reduction in density functional theory: Locality..:

Dawson, William ; Kawashima, Eisuke ; Ratcliff, Laura E....
The Journal of Chemical Physics.  158 (2023)  16 - p. , 2023
Link: https://doi.org/10.1063/..
 
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10

Flexibilities of Wavelets as a Computational Basis Set for ..:

, In: Density Functional Theory,
Genovese, Luigi ; Deutsch, Thierry - p. 479-523 , 2022
Link: https://doi.org/10.1007/..
 
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11

Transition-Based Constrained DFT for the Robust and Reliabl..:

Stella, Martina ; Thapa, Kritam ; Genovese, Luigi.
Journal of Chemical Theory and Computation.  18 (2022)  5 - p. 3027-3038 , 2022
Link: https://doi.org/10.1021/..
 
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12

Probing the mutational landscape of the SARS-CoV-2 spike pr..:

Zaccaria, Marco ; Genovese, Luigi ; Dawson, William...
PNAS Nexus.  1 (2022)  5 - p. , 2022
Link: https://doi.org/10.1093/..
 
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13

Probing disorder in 2CzPN using core and valence states:

Fernando, Nathalie K. ; Stella, Martina ; Dawson, William...
Physical Chemistry Chemical Physics.  24 (2022)  38 - p. 23329-23339 , 2022
Link: https://doi.org/10.1039/..
 
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14

Common workflows for computing material properties using di..:

Huber, Sebastiaan P. ; Bosoni, Emanuele ; Bercx, Marnik...
npj Computational Materials.  7 (2021)  1 - p. , 2021
Link: https://doi.org/10.1038/..
 
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15

Discovery of SARS-CoV-2 Mpro peptide inhibitors from modell..:

Chan, H. T. Henry ; Moesser, Marc A. ; Walters, Rebecca K....
Chemical Science.  12 (2021)  41 - p. 13686-13703 , 2021
Link: https://doi.org/10.1039/..
 
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