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Name
Authors / organizations
Year

Structural database of small PtAu and hydrogenated PtAu nanoparticles

Open access
DOI
10.5281/zenodo.11185691
Jan Kloppenburg, Miguel A. Caro2024
Open access
DOI
10.5281/zenodo.11185691

Exploring the conformers of an organic adsorbate on a metal cluster with Bayesian optimization

Open access
DOI
10.5281/zenodo.7012914
Lincan Fang2022
Open access
DOI
10.5281/zenodo.7012914

F4TCNQ and TTF on approximate supported graphene, 3D surface adsorbate search with BOSS

Open access
DOI
10.5281/zenodo.6421408
Jari Järvi, Patrick Rinke, Milica Todorovic2022
Open access
DOI
10.5281/zenodo.6421408

(1S)-camphor on Cu(111), 6D surface adsorbate search with BOSS

Open access
DOI
10.5281/zenodo.4680466
Jari Järvi, Milica Todorovic, Patrick Rinke2021
Open access
DOI
10.5281/zenodo.4680466

Hardware Benchmark for Deep Learning Capability

Open access
DOI
10.5281/zenodo.4905213
Huynh Quang Nguyen Vo2021
Open access
DOI
10.5281/zenodo.4905213

Hybrid DFT/MP2 calculations of CuF structures predicted by evolutionary algorithm

Open access
DOI
10.17172/NOMAD/2019.08.06-1
Mikhail Kuklin2019
Open access
DOI
10.17172/NOMAD/2019.08.06-1

Structural database of small PtAu and hydrogenated PtAu nanoparticles

Open access
DOI
10.5281/zenodo.11185691
2024

Exploring the conformers of an organic adsorbate on a metal cluster with Bayesian optimization

Open access
DOI
10.5281/zenodo.7012914
2022

F4TCNQ and TTF on approximate supported graphene, 3D surface adsorbate search with BOSS

Open access
DOI
10.5281/zenodo.6421408
2022

(1S)-camphor on Cu(111), 6D surface adsorbate search with BOSS

Open access
DOI
10.5281/zenodo.4680466
2021

Hardware Benchmark for Deep Learning Capability

Open access
DOI
10.5281/zenodo.4905213
2021

Hybrid DFT/MP2 calculations of CuF structures predicted by evolutionary algorithm

Open access
DOI
10.17172/NOMAD/2019.08.06-1
2019