Dataset Open Access
Kumar, Sandeep; Tahmasbi, Hossein; Ramakrishna, Kushal; Lokamani, Mani; Nikolov, Svetoslav; Tranchida, Julien; Wood, Mitchell A.; Cangi, Attila
<?xml version='1.0' encoding='UTF-8'?> <record xmlns="http://www.loc.gov/MARC21/slim"> <leader>00000nmm##2200000uu#4500</leader> <datafield tag="856" ind1="4" ind2=" "> <subfield code="s">56276000</subfield> <subfield code="u">https://rodare.hzdr.de/record/2369/files/FitSNAP.tar.xz</subfield> <subfield code="z">md5:712ff9eb621f369db248d84f34fdbfcb</subfield> </datafield> <controlfield tag="005">20230906144926.0</controlfield> <datafield tag="540" ind1=" " ind2=" "> <subfield code="a">Other (Open)</subfield> </datafield> <datafield tag="653" ind1=" " ind2=" "> <subfield code="a">Machine Learning Potential</subfield> </datafield> <datafield tag="653" ind1=" " ind2=" "> <subfield code="a">Warm Dense Matter</subfield> </datafield> <datafield tag="520" ind1=" " ind2=" "> <subfield code="a"><p>Here, we provide FitSNAP and DAKOTA input scripts and DFT-MD training data sets used for the generation of transferable SNAP ML-IAP for aluminum.</p></subfield> </datafield> <datafield tag="773" ind1=" " ind2=" "> <subfield code="a">https://www.hzdr.de/publications/Publ-37282</subfield> <subfield code="i">isIdenticalTo</subfield> <subfield code="n">url</subfield> </datafield> <datafield tag="773" ind1=" " ind2=" "> <subfield code="a">https://www.hzdr.de/publications/Publ-36890</subfield> <subfield code="i">isReferencedBy</subfield> <subfield code="n">url</subfield> </datafield> <datafield tag="773" ind1=" " ind2=" "> <subfield code="a">10.14278/rodare.2368</subfield> <subfield code="i">isVersionOf</subfield> <subfield code="n">doi</subfield> </datafield> <datafield tag="980" ind1=" " ind2=" "> <subfield code="a">dataset</subfield> </datafield> <datafield tag="980" ind1=" " ind2=" "> <subfield code="a">user-rodare</subfield> </datafield> <datafield tag="909" ind1="C" ind2="O"> <subfield code="o">oai:rodare.hzdr.de:2369</subfield> <subfield code="p">openaire_data</subfield> <subfield code="p">user-rodare</subfield> </datafield> <datafield tag="260" ind1=" " ind2=" "> <subfield code="c">2023-07-18</subfield> </datafield> <datafield tag="700" ind1=" " ind2=" "> <subfield code="a">Tahmasbi, Hossein</subfield> <subfield code="u">Center for Advanced Systems Understanding (CASUS), Helmholtz-Zentrum Dresden-Rossendorf (HZDR), Görlitz, Germany</subfield> <subfield code="0">(orcid)0000-0002-3072-8217</subfield> </datafield> <datafield tag="700" ind1=" " ind2=" "> <subfield code="a">Ramakrishna, Kushal</subfield> <subfield code="u">Center for Advanced Systems Understanding (CASUS), Helmholtz-Zentrum Dresden-Rossendorf (HZDR), Görlitz, Germany</subfield> <subfield code="0">(orcid)0000-0003-4211-2484</subfield> </datafield> <datafield tag="700" ind1=" " ind2=" "> <subfield code="a">Lokamani, Mani</subfield> <subfield code="u">Center for AdHelmholtz-Zentrum Dresden-Rossendorf (HZDR), Dresden, Germany</subfield> <subfield code="0">(orcid)0000-0001-8679-5905</subfield> </datafield> <datafield tag="700" ind1=" " ind2=" "> <subfield code="a">Nikolov, Svetoslav</subfield> <subfield code="u">Computational Multiscale Department, Sandia National Laboratories, 87185 Albuquerque, NM, United States</subfield> </datafield> <datafield tag="700" ind1=" " ind2=" "> <subfield code="a">Tranchida, Julien</subfield> <subfield code="u">CEA, DES, IRESNE, DEC, SESC, LM2C, F-13108 Saint-Paul-Lez-Durance, France</subfield> </datafield> <datafield tag="700" ind1=" " ind2=" "> <subfield code="a">Wood, Mitchell A.</subfield> <subfield code="u">Computational Multiscale Department, Sandia National Laboratories, 87185 Albuquerque, NM, United States</subfield> </datafield> <datafield tag="700" ind1=" " ind2=" "> <subfield code="a">Cangi, Attila</subfield> <subfield code="u">Center for Advanced Systems Understanding (CASUS), Helmholtz-Zentrum Dresden-Rossendorf (HZDR), Görlitz, Germany</subfield> <subfield code="0">(orcid)0000-0001-9162-262X</subfield> </datafield> <datafield tag="100" ind1=" " ind2=" "> <subfield code="a">Kumar, Sandeep</subfield> <subfield code="u">Center for Advanced Systems Understanding (CASUS), Helmholtz-Zentrum Dresden-Rossendorf (HZDR), Görlitz, Germany</subfield> <subfield code="0">(orcid)0000-0002-6398-0427</subfield> </datafield> <controlfield tag="001">2369</controlfield> <datafield tag="245" ind1=" " ind2=" "> <subfield code="a">Training scripts and input data sets: Transferable Interatomic Potential for Aluminum from Ambient Conditions to Warm Dense Matter</subfield> </datafield> <datafield tag="542" ind1=" " ind2=" "> <subfield code="l">open</subfield> </datafield> <datafield tag="650" ind1="1" ind2="7"> <subfield code="a">cc-by</subfield> <subfield code="2">opendefinition.org</subfield> </datafield> <datafield tag="024" ind1=" " ind2=" "> <subfield code="a">10.14278/rodare.2369</subfield> <subfield code="2">doi</subfield> </datafield> </record>
All versions | This version | |
---|---|---|
Views | 174 | 174 |
Downloads | 22 | 22 |
Data volume | 1.2 GB | 1.2 GB |
Unique views | 147 | 147 |
Unique downloads | 22 | 22 |