المؤلفون: Alvaro Vazquez-Mayagoitia, Hideo Sekino, Vazquez-Mayagoitia Alvaro, Yukina Yokoi, 横井 夕妃那, 関野 秀男

المصدر: Proceedings of the Symposium on Chemoinformatics. 2014, :23

المؤلفون: Sivaraman, Ganesh, Gallington, Leighanne, Krishnamoorthy, Anand Narayanan, Stan, Marius, Csanyi, Gabor, Vazquez-Mayagoitia, Alvaro, Benmore, Chris J.

المصدر: Phys. Rev. Lett. 126, 156002 (2021)

مصطلحات موضوعية: Condensed Matter - Materials Science, Computer Science - Machine Learning, Physics - Computational Physics

URL الوصول: http://arxiv.org/abs/2009.04045

المؤلفون: Hoja, Johannes, Sandonas, Leonardo Medrano, Ernst, Brian G., Vazquez-Mayagoitia, Alvaro, DiStasio Jr., Robert A., Tkatchenko, Alexandre

المصدر: Sci. Data 8, 43 (2021)

مصطلحات موضوعية: Physics - Chemical Physics

URL الوصول: http://arxiv.org/abs/2006.15139

المؤلفون: Yu, Victor Wen-zhe, Campos, Carmen, Dawson, William, García, Alberto, Havu, Ville, Hourahine, Ben, Huhn, William P, Jacquelin, Mathias, Jia, Weile, Keçeli, Murat, Laasner, Raul, Li, Yingzhou, Lin, Lin, Lu, Jianfeng, Moussa, Jonathan, Roman, Jose E, Vázquez-Mayagoitia, Álvaro, Yang, Chao, Blum, Volker

المصدر: Computer Physics Communications 256 (2020) 107459

مصطلحات موضوعية: Physics - Computational Physics, Condensed Matter - Materials Science

URL الوصول: http://arxiv.org/abs/1912.13403

المؤلفون: Sivaraman, Ganesh, Krishnamoorthy, Anand Narayanan, Baur, Matthias, Holm, Christian, Stan, Marius, Csányi, Gabor, Benmore, Chris, Vázquez-Mayagoitia, Álvaro

المصدر: npj Computational Materials 6 (2020) 1-8

مصطلحات موضوعية: Condensed Matter - Materials Science, Computer Science - Machine Learning, Physics - Computational Physics

URL الوصول: http://arxiv.org/abs/1910.10254

المؤلفون: Tom, Rithwik, Rose, Timothy, Bier, Imanuel, O'Brien, Harriet, Vazquez-Mayagoitia, Alvaro, Marom, Noa

مصطلحات موضوعية: Condensed Matter - Materials Science, Physics - Computational Physics

URL الوصول: http://arxiv.org/abs/1909.10629

المؤلفون: Liu, Chi, Huhn, William, Du, Ke-Zhao, Vazquez-Mayagoitia, Alvaro, Dirkes, David, You, Wei, Kanai, Yosuke, Mitzi, David B., Blum, Volker

المصدر: Phys. Rev. Lett. 121, 146401 (2018)

مصطلحات موضوعية: Condensed Matter - Materials Science

URL الوصول: http://arxiv.org/abs/1803.07230

المؤلفون: Li, Xiayue, Curtis, Farren S., Rose, Timothy, Schober, Christoph, Vazquez-Mayagoitia, Alvaro, Reuter, Karsten, Oberhofer, Harald, Marom, Noa

مصطلحات موضوعية: Physics - Computational Physics, Condensed Matter - Materials Science

URL الوصول: http://arxiv.org/abs/1803.02145

المؤلفون: Curtis, Farren, Li, Xiayue, Rose, Timothy, Vázquez-Mayagoitia, Álvaro, Bhattacharya, Saswata, Ghiringhelli, Luca M., Marom, Noa

مصطلحات موضوعية: Condensed Matter - Materials Science

URL الوصول: http://arxiv.org/abs/1802.08602

المؤلفون: Sullivan, Raymond, Jia, Junteng, Vazquez-Mayagoitia, Alvaro, Picón, Antonio

المصدر: Phys. Rev. A 94, 043421 (2016)

مصطلحات موضوعية: Physics - Atomic Physics, Quantum Physics

URL الوصول: http://arxiv.org/abs/1801.03409

المؤلفون: Yu, Victor Wen-zhe, Corsetti, Fabiano, García, Alberto, Huhn, William P., Jacquelin, Mathias, Jia, Weile, Lange, Björn, Lin, Lin, Lu, Jianfeng, Mi, Wenhui, Seifitokaldani, Ali, Vázquez-Mayagoitia, Álvaro, Yang, Chao, Yang, Haizhao, Blum, Volker

المصدر: Computer Physics Communications 222 (2018) 267-285

مصطلحات موضوعية: Physics - Computational Physics, Condensed Matter - Materials Science

URL الوصول: http://arxiv.org/abs/1705.11191

المؤلفون: Kocabas, Tugbey, Keceli, Murat, Vazquez-Mayagoitia, Alvaro, Sevik, Cem

المصدر: NANOSCALE 15(19) 9

Relation: https://aperta.ulakbim.gov.tr/record/271120; oai:aperta.ulakbim.gov.tr:271120

الاتاحة: https://aperta.ulakbim.gov.tr/record/271120

المؤلفون: Medrano Sandonas, Leonardo, Hoja, Johannes, Ernst, Brian G., Vázquez-Mayagoitia, Álvaro, DiStasio, Robert A., Tkatchenko, Alexandre

المساهمون: European Research Council, National Science Foundation

المصدر: Chemical Science ; volume 14, issue 39, page 10702-10717 ; ISSN 2041-6520 2041-6539

الاتاحة: http://dx.doi.org/10.1039/d3sc03598k
http://pubs.rsc.org/en/content/articlepdf/2023/SC/D3SC03598K

المؤلفون: Gallington, Leighanne C, Ghadar, Yasaman, Skinner, Lawrie B, Weber, JK Richard, Ushakov, Sergey V, Navrotsky, Alexandra, Vazquez-Mayagoitia, Alvaro, Neuefeind, Joerg C, Stan, Marius, Low, John J, Benmore, Chris J

المصدر: Materials (Basel, Switzerland). 10(11)

مصطلحات موضوعية: X-ray diffraction, amorphous materials, hafnium oxide, liquid structure, molecular dynamics, nanoparticles, neutron diffraction, Chemical Sciences, Engineering

وصف الملف: application/pdf

URL الوصول: https://escholarship.org/uc/item/2bk77658

المؤلفون: Blum, Volker, Lin, Lin, Lu, Jianfeng, Yang, Chao, Vazquez-Mayagoitia, Alvaro, Campos, Carmen, Dawson, William, Ehlert, Sebastian, Garcia, Alberto, Havu, Ville, Hourahine, Ben, Huhn, William P., Jacquelin, Matthias, Jia, Weile, Keceli, Murat, Kokott, Sebastian, Laasner, Raul, Li, Yingzhou, Moussa, Jonathan, Roman, Jose E., Song, Ruyi, Yu, Victor Wen-zhe, Yao, Yi

Relation: https://zenodo.org/communities/cssi2022; https://doi.org/10.5281/zenodo.6859302; https://doi.org/10.5281/zenodo.6859303; oai:zenodo.org:6859303

الاتاحة: https://doi.org/10.5281/zenodo.6859303

المؤلفون: Harrison, Robert J., Beylkin, Gregory, Bischoff, Florian A., Calvin, Justus A., Fann, George I., Fosso-Tande, Jacob, Galindo, Diego, Hammond, Jeff R., Hartman-Baker, Rebecca, Hill, Judith C., Jia, Jun, Kottmann, Jakob S., Ou, M-J. Yvonne, Ratcliff, Laura E., Reuter, Matthew G., Richie-Halford, Adam C., Romero, Nichols A., Sekino, Hideo, Shelton, William A., Sundahl, Bryan E., Thornton, W. Scott, Valeev, Edward F., Vázquez-Mayagoitia, Álvaro, Vence, Nicholas, Yokoi, Yukina

المصدر: SIAM SISC 38, S123-S142 (2016)

مصطلحات موضوعية: Computer Science - Mathematical Software, Computer Science - Computational Engineering, Finance, and Science, Mathematics - Numerical Analysis

URL الوصول: http://arxiv.org/abs/1507.01888

المؤلفون: Bylaska, Eric J., Song, Duo, Ilton, Eugene S., Bagusetty, Abhishek, Bross, David, Vazquez-Mayagoitia, Alvaro, Hernandez, Raymundo, Gawande, Nitin

المصدر: Comprehensive Computational Chemistry ; page 518-543 ; ISBN 9780128232569

الاتاحة: http://dx.doi.org/10.1016/b978-0-12-821978-2.00094-5
https://api.elsevier.com/content/article/PII:B9780128219782000945?httpAccept=text/xml
https://api.elsevier.com/content/article/PII:B9780128219782000945?httpAccept=text/plain

المؤلفون: Montavon, Grégoire, Rupp, Matthias, Gobre, Vivekanand, Vazquez-Mayagoitia, Alvaro, Hansen, Katja, Tkatchenko, Alexandre, Müller, Klaus-Robert, Lilienfeld, O Anatole von

مصطلحات موضوعية: 004 Datenverarbeitung, Informatik, machine learning, chemical compound space, molecular electronic properties, electronic structure theory, structure–property relationships

وصف الملف: application/pdf

Relation: https://depositonce.tu-berlin.de/handle/11303/16396; http://dx.doi.org/10.14279/depositonce-15172

الاتاحة: https://depositonce.tu-berlin.de/handle/11303/16396
https://doi.org/10.14279/depositonce-15172

المؤلفون: Devereux, Leon R., Vázquez‐Mayagoitia, Álvaro, Sternberg, Michael G., Cole, Jacqueline M.

المساهمون: Advanced Scientific Computing Research, Basic Energy Sciences, Engineering and Physical Sciences Research Council

المصدر: Advanced Energy Materials ; volume 13, issue 6 ; ISSN 1614-6832 1614-6840

الاتاحة: http://dx.doi.org/10.1002/aenm.202203536
https://onlinelibrary.wiley.com/doi/pdf/10.1002/aenm.202203536
https://onlinelibrary.wiley.com/doi/full-xml/10.1002/aenm.202203536

المؤلفون: Al-Haddad, Andre, Oberli, Solène, González-Vázquez, Jesús, Bucher, Maximilian, Doumy, Gilles, Ho, Phay, Krzywinski, Jacek, Lane, Thomas J., Lutman, Alberto, Marinelli, Agostino, Maxwell, Timothy J., Moeller, Stefan, Pratt, Stephen T., Ray, Dipanwita, Shepard, Ron, Southworth, Stephen H., Vázquez-Mayagoitia, Álvaro, Walter, Peter, Young, Linda, Picón, Antonio, Bostedt, Christoph

المصدر: Nature Communications ; volume 13, issue 1 ; ISSN 2041-1723

الاتاحة: http://dx.doi.org/10.1038/s41467-022-34670-2
https://www.nature.com/articles/s41467-022-34670-2.pdf
https://www.nature.com/articles/s41467-022-34670-2