المؤلفون: Kokott, S., Merz, F., Yao, Y., Carbogno, C., Rossi, M., Havu, V., Rampp, M., Scheffler, M., Blum, V.

المصدر: The Journal of Chemical Physics

وصف الملف: application/pdf

Relation: info:eu-repo/grantAgreement/EC/H2020/951786; info:eu-repo/grantAgreement/EC/H2020/740233; info:eu-repo/semantics/altIdentifier/arxiv/2403.10343v1; info:eu-repo/semantics/altIdentifier/urn/https://arxiv.org/abs/2403.10343v1; http://hdl.handle.net/21.11116/0000-000F-1B3A-3; http://hdl.handle.net/21.11116/0000-000F-23BB-7; http://hdl.handle.net/21.11116/0000-000F-9791-2

الاتاحة: http://hdl.handle.net/21.11116/0000-000F-1B3A-3
http://hdl.handle.net/21.11116/0000-000F-23BB-7
http://hdl.handle.net/21.11116/0000-000F-9791-2

المؤلفون: Kokott, S., Marek, A., Merz, F., Karpov, P., Carbogno, C., Rossi, M., Rampp, M., Blum, V., Scheffler, M.

المصدر: Modelling and Simulation in Materials Science and Engineering ; Roadmap on data-centric materials science

وصف الملف: application/pdf

Relation: info:eu-repo/grantAgreement/EC/H2020/951786; info:eu-repo/semantics/altIdentifier/arxiv/2402.10932; http://hdl.handle.net/21.11116/0000-000F-937C-0; http://hdl.handle.net/21.11116/0000-000F-937E-E

الاتاحة: http://hdl.handle.net/21.11116/0000-000F-937C-0
http://hdl.handle.net/21.11116/0000-000F-937E-E

المؤلفون: Bauer, S., Benner, P., Bereau, T., Blum, V., Boley, M., Carbogno, C., A. Catlow, C., Dehm, G., Eibl, S., Ernstorfer, R., Fekete, Á., Foppa, L., Fratzl, P., Freysoldt, C., Gault, B., M. Ghiringhelli, L., Sajal, K., Gladyshev, A., Goyal, P., Hattrick-Simpers, J., Kabalan, L., Karpov, P., S. Khorrami, M., Koch, C., Kokott, S., Kosch, T., Kowalec, I., Kremer, K., Leitherer, A., Li, Y., Liebscher, C., Logsdail, A., Lu, Z., Luong, F., Marek, A., Merz, F., R. Mianroodi, J., Neugebauer, J., Purcell, T., Raabe, D., Rampp, M., Rossi, M., Rost, J., Saalmann, U., Saxena, A., Sbailo, L., Scheffler, M., Scheidgen, M., Schloz, M., Schmidt, D., Teshuva, S., Trunschke, A., Wei, Y., Weikum, G., Xian, R., Yao, Y., Zhao, M.

المصدر: Modelling and Simulation in Materials Science and Engineering

وصف الملف: application/pdf

Relation: info:eu-repo/semantics/altIdentifier/arxiv/arXiv.2402.10932; http://hdl.handle.net/21.11116/0000-000E-6BC1-0; http://hdl.handle.net/21.11116/0000-000F-824F-6

الاتاحة: http://hdl.handle.net/21.11116/0000-000E-6BC1-0
http://hdl.handle.net/21.11116/0000-000F-824F-6

المؤلفون: Bauer S, Benner P, Bereau T, Blum V, Boley M, Carbogno C, Catlow CRA, Dehm G, Eibl S, Ernstorfer R, Fekete Á, Foppa L, Fratzl P, Freysoldt C, Gault B, Ghiringhelli LM, Giri SK, Gladyshev A, Goyal P, Hattrick-Simpers J, Kabalan L, Karpov P, Khorrami MS, Koch CT, Kokott S, Kosch T, Kowalec I, Kremer K, Leitherer A, Li Y, Liebscher CH, Logsdail AJ, Lu Z, Luong F, Marek A, Merz F, Mianroodi JR, Neugebauer J, Pei Z, Purcell TAR, Raabe D, Rampp M, Rossi M, Rost J, Saal J, Saalmann U, Sasidhar KN, Saxena A, Sbailò L, Scheidgen M, Schloz M, Schmidt DF, Teshuva S, Trunschke A, Wei Y, Weikum G, Xian RP, Yao Y, Yin J, Zhao M, Scheffler M

Relation: Science and Technology Facilities Council (2007- ); Hartree Centre (2012- ); http://purl.org/net/epubs/work/58514880

الاتاحة: http://purl.org/net/epubs/work/58514880

المؤلفون: Gavini V., Baroni S., Blum V., Bowler D. R., Buccheri A., Chelikowsky J. R., Das S., Dawson W., Delugas P., Dogan M., Draxl C., Galli G., Genovese L., Giannozzi P., Giantomassi M., Gonze X., Govoni M., Gygi F., Gulans A., Herbert J. M., Kokott S., Kuhne T. D., Liou K. -H., Miyazaki T., Motamarri P., Nakata A., Pask J. E., Plessl C., Ratcliff L. E., Richard R. M., Rossi M., Schade R., Scheffler M., Schutt O., Suryanarayana P., Torrent M., Truflandier L., Windus T. L., Xu Q., Yu V. W., Perez D.

المساهمون: Gavini, V., Baroni, S., Blum, V., Bowler, D. R., Buccheri, A., Chelikowsky, J. R., Das, S., Dawson, W., Delugas, P., Dogan, M., Draxl, C., Galli, G., Genovese, L., Giannozzi, P., Giantomassi, M., Gonze, X., Govoni, M., Gygi, F., Gulans, A., Herbert, J. M., Kokott, S., Kuhne, T. D., Liou, K. -H., Miyazaki, T., Motamarri, P., Nakata, A., Pask, J. E., Plessl, C., Ratcliff, L. E., Richard, R. M., Rossi, M., Schade, R., Scheffler, M., Schutt, O., Suryanarayana, P., Torrent, M., Truflandier, L., Windus, T. L., Xu, Q., Yu, V. W., Perez, D.

مصطلحات موضوعية: electronic structure calculation, materials science, modeling and simulation

Relation: volume:31; issue:6; firstpage:063301; journal:MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING; https://hdl.handle.net/11390/1256724; info:eu-repo/semantics/altIdentifier/scopus/2-s2.0-85167870692

الاتاحة: https://hdl.handle.net/11390/1256724
https://doi.org/10.1088/1361-651X/acdf06

المؤلفون: Gavini, V, Baroni, S, Blum, V, Bowler, DR, Buccheri, A, Chelikowsky, JR, Das, S, Dawson, W, Delugas, P, Dogan, M, Draxl, C, Galli, G, Genovese, L, Giannozzi, P, Giantomassi, M, Gonze, X, Govoni, M, Gygi, F, Gulans, A, Herbert, JM, Kokott, S, Kühne, TD, Liou, KH, Miyazaki, T, Motamarri, P, Nakata, A, Pask, JE, Plessl, C, Ratcliff, LE, Richard, RM, Rossi, M, Schade, R, Scheffler, M, Schütt, O, Suryanarayana, P, Torrent, M, Truflandier, L, Windus, TL, Xu, Q, Yu, VWZ, Perez, D

المصدر: Modelling and Simulation in Materials Science and Engineering , 31 (6) , Article 063301. (2023)

مصطلحات موضوعية: electronic structure calculations, modeling and simulation, materials science

وصف الملف: text

Relation: https://discovery.ucl.ac.uk/id/eprint/10176040/1/Gavini_2023_Modelling_Simul._Mater._Sci._Eng._31_063301.pdf; https://discovery.ucl.ac.uk/id/eprint/10176040/

الاتاحة: https://discovery.ucl.ac.uk/id/eprint/10176040/1/Gavini_2023_Modelling_Simul._Mater._Sci._Eng._31_063301.pdf
https://discovery.ucl.ac.uk/id/eprint/10176040/

المؤلفون: Blum, V., Rossi, M., Kokott, S., Scheffler, M.

المصدر: Modelling and Simulation in Materials Science and Engineering ; Roadmap on electronic structure codes in the exascale era

وصف الملف: application/pdf

Relation: info:eu-repo/grantAgreement/EC/H2020/951786; info:eu-repo/semantics/altIdentifier/arxiv/2208.12335; http://hdl.handle.net/21.11116/0000-000B-29BE-2; http://hdl.handle.net/21.11116/0000-000D-8F36-6

الاتاحة: http://hdl.handle.net/21.11116/0000-000B-29BE-2
http://hdl.handle.net/21.11116/0000-000D-8F36-6

المؤلفون: Kokott, S., Hurtado, I., Vorwerk, C., Draxl, C., Blum, V., Scheffler, M.

المصدر: The Journal of Open Source Software

وصف الملف: application/pdf

Relation: info:eu-repo/grantAgreement/EC/H2020/951786; info:eu-repo/grantAgreement/EC/H2020/740233; http://hdl.handle.net/21.11116/0000-0009-8072-5; http://hdl.handle.net/21.11116/0000-0009-8074-3

الاتاحة: http://hdl.handle.net/21.11116/0000-0009-8072-5
http://hdl.handle.net/21.11116/0000-0009-8074-3

المؤلفون: Janke, S., Rossi, M., Levchenko, S., Kokott, S., Scheffler, M., Blum, V.

المصدر: Electronic Structure

وصف الملف: application/pdf

Relation: info:eu-repo/semantics/altIdentifier/arxiv/2004.02617; http://hdl.handle.net/21.11116/0000-0009-86AD-D; http://hdl.handle.net/21.11116/0000-0009-86AF-B; http://hdl.handle.net/21.11116/0000-0009-86B0-8; http://hdl.handle.net/21.11116/0000-0009-86B1-7

الاتاحة: http://hdl.handle.net/21.11116/0000-0009-86AD-D
http://hdl.handle.net/21.11116/0000-0009-86AF-B
http://hdl.handle.net/21.11116/0000-0009-86B0-8
http://hdl.handle.net/21.11116/0000-0009-86B1-7

المؤلفون: Oliveira, M., Papior, N., Pouillon, Y., Blum, V., Artacho, E., Caliste, D., Corsetti, F., de Gironcoli, S., Elena, A., García, A., García-Suárez, V., Genovese, L., Huhn, W., Huhs, G., Kokott, S., Küçükbenli, E., Larsen, A., Lazzaro, A., Lebedeva, I., Li, Y., López-Durán, D., López-Tarifa, P., Lüders, M., Marques, M., Minar, J., Mohr, S., Mostofi, A., O'Cais, A., Payne, M., Ruh, T., Smith, D., Soler, J., Strubbe, D., Tancogne-Dejean, N., Tildesley, D., Torrent, M., Yu, V.

المصدر: The Journal of Chemical Physics

وصف الملف: application/pdf

Relation: info:eu-repo/grantAgreement/EC/H2020/676531; info:eu-repo/grantAgreement/EC/H2020/824143; info:eu-repo/semantics/altIdentifier/arxiv/2005.05756; http://hdl.handle.net/21.11116/0000-0006-C7F5-5; http://hdl.handle.net/21.11116/0000-0006-C7F7-3; http://hdl.handle.net/21.11116/0000-0006-C7F8-2

الاتاحة: http://hdl.handle.net/21.11116/0000-0006-C7F5-5
http://hdl.handle.net/21.11116/0000-0006-C7F7-3
http://hdl.handle.net/21.11116/0000-0006-C7F8-2

المؤلفون: Lu, H., Koknat, G., Yao, Y., Hao, J., Qin, X., Xiao, C., Song, R., Merz, F., Rampp, M., Kokott, S., Carbogno, C., Li, T., Teeter, G., Scheffler, M., Berry, J., Mitzi, D., Blackburn, J., Blum, V., Beard, M.

المصدر: PRX Energy

وصف الملف: application/pdf

Relation: http://hdl.handle.net/21.11116/0000-000D-44AA-7; http://hdl.handle.net/21.11116/0000-000D-44AC-5

الاتاحة: http://hdl.handle.net/21.11116/0000-000D-44AA-7
http://hdl.handle.net/21.11116/0000-000D-44AC-5

المؤلفون: Kokott, S., Levchenko, S., Rinke, P., Scheffler, M.

المصدر: New Journal of Physics

وصف الملف: application/pdf

Relation: http://hdl.handle.net/21.11116/0000-0001-3BC3-1; http://hdl.handle.net/21.11116/0000-0001-3BC5-F

الاتاحة: http://hdl.handle.net/21.11116/0000-0001-3BC3-1
http://hdl.handle.net/21.11116/0000-0001-3BC5-F

المؤلفون: Gavini, V., Baroni, S., Blum, V., Bowler, D., Buccheri, A., Chelikowsky, J., Das, S., Dawson, W., Delugas, P., Dogan, M., Draxl, C., Galli, G., Genovese, L., Giannozzi, P., Giantomassi, M., Gonze, X., Govoni, M., Gulans, A., Gygi, F., Herbert, J., Kokott, S., Kühne, T., Liou, K., Miyazaki, T., Motamarri, P., Nakata, A., Pask, J., Plessl, C., Ratcliff, L., Richard, R., Rossi, M., Schade, R., Scheffler, M., Schütt, O., Suryanarayana, P., Torrent, M., Truflandier, L., Windus, T., Xu, Q., Yu, V., Perez, D.

وصف الملف: application/pdf

URL الوصول: https://explore.openaire.eu/search/publication?articleId=od______1874::183ead82e2ec390614052883740cf708
https://hdl.handle.net/21.11116/0000-000B-29BE-221.11116/0000-000B-29C0-E

المؤلفون: Blum, V., Rossi, M., Kokott, S., Scheffler, M.

وصف الملف: application/pdf

URL الوصول: https://explore.openaire.eu/search/publication?articleId=od______1874::2a1f2052bd48040ad05196191d262761
https://hdl.handle.net/21.11116/0000-000A-EAD3-021.11116/0000-000A-EAD5-E

المؤلفون: Tantardini, C., Kokott, S., Gonze, X., Levchenko, S., Saidi, W.

المصدر: Applied Materials Today

Relation: http://hdl.handle.net/21.11116/0000-0009-E60E-5

الاتاحة: http://hdl.handle.net/21.11116/0000-0009-E60E-5

المؤلفون: Carbogno, C., Blum, V., Kokott, S., Lederer, H., Marek, A., Merz, F., Rampp, M., Ren, X., Scheffler, M.

المصدر: High-Performance Computing and Data Science in the Max Planck Society

Relation: info:eu-repo/semantics/altIdentifier/urn/https://www.mpcdf.mpg.de/MPCDF_Brochure_2021; http://hdl.handle.net/21.11116/0000-0009-24AA-F

الاتاحة: http://hdl.handle.net/21.11116/0000-0009-24AA-F

المؤلفون: Oliveira, MJT, Papior, N, Pouillon, Y, Blum, V, Artacho, E, Caliste, D, Corsetti, F, Gironcoli, SD, Elena, AM, Garcia, A, Garcia-Suarez, VM, Genovese, L, Huhn, WP, Huhs, G, Kokott, S, Kucukbenli, E, Larsen, AH, Lazzaro, A, Lebedeva, IV, Li, Y, Lopez-Duran, D, Lopez-Tarifa, P, Luders, M, Marques, MAL, Minar, J, Mohr, S, Mostofi, AA, O'Cais, A, Payne, MC, Ruh, T, Smith, DGA, Soler, JM, Strubbe, DA, Tancogne-Dejean, N, Tildesley, D, Torrent, M, Yu, VW-Z

المصدر: 024117-23 ; 024117-1

مصطلحات موضوعية: cond-mat.mtrl-sci, physics.comp-ph, 02 Physical Sciences, 03 Chemical Sciences, 09 Engineering, Chemical Physics

Relation: Journal of Chemical Physics; http://hdl.handle.net/10044/1/80897

الاتاحة: http://hdl.handle.net/10044/1/80897
https://doi.org/10.1063/5.0012901

المؤلفون: Bechstedt F., Gori P., Kokott S., Matthes L., Pflugradt P., Pulci O.

المساهمون: Bechstedt, F, Gori, P, Kokott, S, Matthes, L, Pflugradt, P, Pulci, O

مصطلحات موضوعية: Settore FIS/03 - FISICA DELLA MATERIA

Relation: info:eu-repo/semantics/altIdentifier/wos/WOS:000346015200011; ispartofbook:International Conference of Computational Methods in Sciences and Engineering 2014, ICCMSE 2014; International Conference of Computational Methods in Sciences and Engineering 2014, ICCMSE 2014; volume:1618; firstpage:56; lastpage:59; numberofpages:4; serie:AIP CONFERENCE PROCEEDINGS; http://hdl.handle.net/2108/289824; info:eu-repo/semantics/altIdentifier/scopus/2-s2.0-84947544495

الاتاحة: http://hdl.handle.net/2108/289824
https://doi.org/10.1063/1.4897673

المؤلفون: Kokott, S.

وصف الملف: application/pdf

Relation: info:eu-repo/semantics/altIdentifier/urn/http://edoc.hu-berlin.de/18452/20307; info:eu-repo/semantics/altIdentifier/urn/urn:nbn:de:kobv:11-110-18452/20307-8; http://hdl.handle.net/21.11116/0000-0002-5BD2-B; http://hdl.handle.net/21.11116/0000-0002-9C75-B

الاتاحة: http://hdl.handle.net/21.11116/0000-0002-5BD2-B
http://hdl.handle.net/21.11116/0000-0002-9C75-B

المؤلفون: Kokott, S.

Relation: http://hdl.handle.net/21.11116/0000-000E-20CE-6

الاتاحة: http://hdl.handle.net/21.11116/0000-000E-20CE-6