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Talirz, Leopold
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1

High-throughput ab initio reaction mechanism exploration in..:

Unsleber, Jan P. ; Liu, Hongbin ; Talirz, Leopold...
The Journal of Chemical Physics.  158 (2023)  8 - p. , 2023
Link: https://doi.org/10.1063/..
 
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2

Using genetic algorithms to systematically improve the synt..:

Domingues, Nency P. ; Moosavi, Seyed Mohamad ; Talirz, Leopold...
Communications Chemistry.  5 (2022)  1 - p. , 2022
Link: https://doi.org/10.1038/..
 
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3

Data-Driven Matching of Experimental Crystal Structures and..:

Ongari, Daniele ; Talirz, Leopold ; Jablonka, Kevin Maik..
Journal of Chemical & Engineering Data.  67 (2022)  7 - p. 1743-1756 , 2022
Link: https://doi.org/10.1021/..
 
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4

OPTIMADE, an API for exchanging materials data:

Andersen, Casper W. ; Armiento, Rickard ; Blokhin, Evgeny...
Scientific Data.  8 (2021)  1 - p. , 2021
Link: https://doi.org/10.1038/..
 
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5

AiiDAlab – an ecosystem for developing, executing, and shar..:

Yakutovich, Aliaksandr V. ; Eimre, Kristjan ; Schütt, Ole...
Computational Materials Science.  188 (2021)  - p. 110165 , 2021
Link: https://doi.org/10.1016/..
 
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6

Materials Cloud, a platform for open computational science:

Talirz, Leopold ; Kumbhar, Snehal ; Passaro, Elsa...
Scientific Data.  7 (2020)  1 - p. , 2020
Link: https://doi.org/10.1038/..
 
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7

AiiDA 1.0, a scalable computational infrastructure for auto..:

Huber, Sebastiaan P. ; Zoupanos, Spyros ; Uhrin, Martin...
Scientific Data.  7 (2020)  1 - p. , 2020
Link: https://doi.org/10.1038/..
 
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8

In Silico Discovery of Covalent Organic Frameworks for Carb..:

Deeg, Kathryn S. ; Damasceno Borges, Daiane ; Ongari, Daniele...
ACS Applied Materials & Interfaces.  12 (2020)  19 - p. 21559-21568 , 2020
Link: https://doi.org/10.1021/..
 
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9

Band Gap of Atomically Precise Graphene Nanoribbons as a Fu..:

Talirz, Leopold ; Söde, Hajo ; Kawai, Shigeki...
ChemPhysChem.  20 (2019)  18 - p. 2348-2353 , 2019
Link: https://doi.org/10.1002/..
 
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10

Capturing chemical intuition in synthesis of metal-organic ..:

Moosavi, Seyed Mohamad ; Chidambaram, Arunraj ; Talirz, Leopold...
Nature Communications.  10 (2019)  1 - p. , 2019
Link: https://doi.org/10.1038/..
 
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11

Toward GW Calculations on Thousands of Atoms:

Wilhelm, Jan ; Golze, Dorothea ; Talirz, Leopold..
The Journal of Physical Chemistry Letters.  9 (2018)  2 - p. 306-312 , 2018
Link: https://doi.org/10.1021/..
 
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12

In Silico Design of 2D and 3D Covalent Organic Frameworks f..:

Mercado, Rocío ; Fu, Rueih-Sheng ; Yakutovich, Aliaksandr V....
Chemistry of Materials.  30 (2018)  15 - p. 5069-5086 , 2018
Link: https://doi.org/10.1021/..
 
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13

On-Surface Synthesis and Characterization of 9-Atom Wide Ar..:

Talirz, Leopold ; Söde, Hajo ; Dumslaff, Tim...
ACS Nano.  11 (2017)  2 - p. 1380-1388 , 2017
Link: https://doi.org/10.1021/..
 
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14

Giant edge state splitting at atomically precise graphene z..:

Wang, Shiyong ; Talirz, Leopold ; Pignedoli, Carlo A....
Nature Communications.  7 (2016)  1 - p. , 2016
Link: https://doi.org/10.1038/..
 
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15

On‐Surface Synthesis of Atomically Precise Graphene Nanorib..:

Talirz, Leopold ; Ruffieux, Pascal ; Fasel, Roman
Advanced Materials.  28 (2016)  29 - p. 6222-6231 , 2016
Link: https://doi.org/10.1002/..
 
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