المؤلفون: Sabadell Rendón, Albert

المساهمون: University/Department: Universitat Rovira i Virgili. Departament de Química Analítica i Química Orgànica

Thesis Advisors: López Alonso, Núria

المصدر: TDX (Tesis Doctorals en Xarxa)

مصطلحات موضوعية: Multi-Escala, Modelatge, Basat-en-dades, Modelización, Basado-en-datos, Multi-Scale, Modeling, Data-Driven, Ciències

وصف الملف: application/pdf

URL الوصول: http://hdl.handle.net/10803/687456

المؤلفون: Pablo-García, Sergio, Pérez-Soto, Raúl, Sabadell-Rendón, Albert, Garay-Ruiz, Diego, Nosylevskyi, Vladyslav, López, Núria

المساهمون: Office of Science, Ministerio de Ciencia e Innovación, Total, Barcelona Supercomputing Center

المصدر: Digital Discovery ; volume 3, issue 8, page 1564-1576 ; ISSN 2635-098X

الاتاحة: http://dx.doi.org/10.1039/d4dd00087k
http://pubs.rsc.org/en/content/articlepdf/2024/DD/D4DD00087K

المؤلفون: Sabadell-Rendón, Albert, Kaźmierczak, Kamila, Morandi, Santiago, Euzenat, Florian, Curulla-Ferré, Daniel, López, Núria

المساهمون: Total, Ministerio de Ciencia e Innovación, NCCR Catalysis, Schweizerischer Nationalfonds zur Förderung der Wissenschaftlichen Forschung

المصدر: Digital Discovery ; volume 2, issue 6, page 1721-1732 ; ISSN 2635-098X

الاتاحة: http://dx.doi.org/10.1039/d3dd00163f
http://pubs.rsc.org/en/content/articlepdf/2023/DD/D3DD00163F

المؤلفون: González, José Manuel^1,2 (AUTHOR), Sabadell‐Rendón, Albert¹ (AUTHOR) asabadell@iciq.es, Kaźmierczak, Kamila³ (AUTHOR), Euzenat, Florian⁴ (AUTHOR), Montroussier, Nicolas⁵ (AUTHOR), Curulla‐Ferré, Daniel³ (AUTHOR), López, Núria¹ (AUTHOR) nlopez@iciq.es

المصدر: Angewandte Chemie International Edition. Oct2024, p1. 8p. 5 Illustrations.

المؤلفون: Pablo‐García, Sergio, Sabadell-Rendón, Albert, Saadun, Ali J., Morandi, Santiago, Pérez-Ramírez, Javier, López, Núria

المصدر: ACS Catalysis, 12 (2)

مصطلحات موضوعية: Kinetics, statistical learning, microkinetics, Density Functional Theory, activity, selectivity, descriptors

وصف الملف: application/application/pdf

Relation: info:eu-repo/semantics/altIdentifier/wos/000743200400001; http://hdl.handle.net/20.500.11850/531001

الاتاحة: https://hdl.handle.net/20.500.11850/531001
https://doi.org/10.3929/ethz-b-000531001

المؤلفون: Geiger, Julian, Sabadell-Rendón, Albert, Daelman, Nathan, López, Núria

المساهمون: Ministry of Science and Innovation

المصدر: npj Computational Materials ; volume 8, issue 1 ; ISSN 2057-3960

الاتاحة: http://dx.doi.org/10.1038/s41524-022-00852-1
https://www.nature.com/articles/s41524-022-00852-1.pdf
https://www.nature.com/articles/s41524-022-00852-1

المؤلفون: Minotaki, Maria G., Geiger, Julian, Ruiz-Ferrando, Andrea, Sabadell-Rendón, Albert, López, Núria

المساهمون: Ministerio de Ciencia e Innovación, NCCR Catalysis, Generalitat de Catalunya, Schweizerischer Nationalfonds zur Förderung der Wissenschaftlichen Forschung, Total

المصدر: Journal of Materials Chemistry A ; volume 12, issue 18, page 11049-11061 ; ISSN 2050-7488 2050-7496

الاتاحة: http://dx.doi.org/10.1039/d3ta05898k
http://pubs.rsc.org/en/content/articlepdf/2024/TA/D3TA05898K

المؤلفون: Pablo-García, Sergio, Pérez-Soto, Raúl, Vladyslav, Nosylevskyi, Sabadell-Rendón, Albert, Garay-Ruiz, Diego

مصطلحات موضوعية: dot, graphviz, reaction, network, chemistry, reactivity

Relation: https://github.com/spgarcica/rNets/tree/24.06; https://doi.org/10.5281/zenodo.11463948; https://doi.org/10.5281/zenodo.11463949; oai:zenodo.org:11463949

الاتاحة: https://doi.org/10.5281/zenodo.11463949
https://doi.org/10.26434/chemrxiv-2024-l7gf5

المؤلفون: González-Acosta, José Manuel, Sabadell-Rendón, Albert, Kaźmierczak, Kamila, Euzenat, Florian, Montroussier, Nicolas, Curulla-Ferré, Daniel, López, Núria

الاتاحة: http://dx.doi.org/10.26434/chemrxiv-2024-qzrlv
https://chemrxiv.org/engage/api-gateway/chemrxiv/assets/orp/resource/item/669a316cc9c6a5c07aceb782/original/nickel-dynamics-switch-the-selectivity-of-co2-hydrogenation.pdf

المؤلفون: Sabadell Rendón, Albert

المساهمون: López Alonso, Núria, Universitat Rovira i Virgili. Departament de Química Analítica i Química Orgànica

المصدر: TDX (Tesis Doctorals en Xarxa)

مصطلحات موضوعية: Multi-Escala, Modelatge, Basat-en-dades, Modelización, Basado-en-datos, Multi-Scale, Modeling, Data-Driven, Ciències

Time: 004, 53, 544, 62

وصف الملف: 239 p.; application/pdf

Relation: http://hdl.handle.net/10803/687456

الاتاحة: http://hdl.handle.net/10803/687456

المؤلفون: Sabadell-Rendón, Albert, Kaźmierczak, Kamila, Morandi, Santiago, Euzenat, Florian, Curulla-Ferré, Daniel, López, Núria

الاتاحة: http://dx.doi.org/10.26434/chemrxiv-2023-zms3n
https://chemrxiv.org/engage/api-gateway/chemrxiv/assets/orp/resource/item/644be9630d87b493e3717c9b/original/automated-multiscale-universal-simulation-environment.pdf

المؤلفون: Pablo-García, Sergio, Sabadell-Rendón, Albert, Saadun, Ali J., Morandi, Santiago, Pérez-Ramírez, Javier, López, Núria

المساهمون: Ministerio de Econom?a y Competitividad

المصدر: ACS Catalysis ; volume 12, issue 2, page 1581-1594 ; ISSN 2155-5435 2155-5435

الاتاحة: http://dx.doi.org/10.1021/acscatal.1c04345
https://pubs.acs.org/doi/pdf/10.1021/acscatal.1c04345

المؤلفون: Departament de Química Analítica i Química Orgànica, Universitat Rovira i Virgili., Sabadell Rendón, Albert

المصدر: TDX (Tesis Doctorals en Xarxa)

مصطلحات الفهرس: 62, 544, 53, 004, Ciències, Data-Driven, Modeling, Multi-Scale, Basado-en-datos, Modelización, Basat-en-dades, Modelatge, Multi-Escala, info:eu-repo/semantics/publishedVersion, info:eu-repo/semantics/doctoralThesis

URL: http://hdl.handle.net/20.500.11797/TDX4111
http://hdl.handle.net/10803/687456

المؤلفون: Pablo‐García, Sergio, García‐Muelas, Rodrigo, Sabadell‐Rendón, Albert, López, Núria

المساهمون: Ministerio de Ciencia e Innovación

المصدر: WIREs Computational Molecular Science ; volume 11, issue 6 ; ISSN 1759-0876 1759-0884

الاتاحة: http://dx.doi.org/10.1002/wcms.1540
https://onlinelibrary.wiley.com/doi/pdf/10.1002/wcms.1540
https://onlinelibrary.wiley.com/doi/full-xml/10.1002/wcms.1540
https://wires.onlinelibrary.wiley.com/doi/pdf/10.1002/wcms.1540

المؤلفون: Vorobyeva, Evgeniya, Gerken, Viktoria C, Mitchell, Sharon, Sabadell-Rendón, Albert, Hauert, Roland, xi, shibo, Borgna, Armando, Klose, Daniel, Collins, Sean M., Midgley, Paul A, Kepaptsoglou, Demie M., Ramasse, Quentin M., Ruiz-Ferrando, Andrea, Fako, Edvin, Ortuño, Manuel A., Lopez, Nuria, Carreira, Erick M, Pérez-Ramírez, Javier

وصف الملف: application/pdf

URL الوصول: https://explore.openaire.eu/search/publication?articleId=core_ac_uk__::4f459a88788384df894164315e923994
https://eprints.whiterose.ac.uk/165051/1/cs_2020_03164r.R2_Proof_hi.pdf