Sergi Vela

Scopus Author ID ORCID

Publication Activity (10 Years)

Years Active: 2016-2024
Publications (10 Years): 25

Top Venues

Journal of chemical information and modeling

Chemistry (Weinheim an der Bergstrasse, Germany)

Inorganic chemistry

Physical chemistry chemical physics : PCCP

École Polytechnique Fédérale de Lausanne

Universitat de Barcelona (PHD)

This page only lists publications with an associated author ORCID identifier.

Affiliation History

École Polytechnique Fédérale de Lausanne Apr 01 2018

Switzerland

Postdoc :: Laboratory for Computational Molecular Design

Education History

Universitat de Barcelona Oct 01 2009 - Sep 11 2014

Spain

PHD :: Química Física

Publications

Fréderic Célerse, Matthew D Wodrich, Sergi Vela, Simone Gallarati, Raimon Fabregat, Veronika Juraskova, Clémence Corminbœuf
From Organic Fragments to Photoswitchable Catalysts: The OFF-ON Structural Repository for Transferable Kernel-Based Potentials. Journal of chemical information and modeling 64 (4) (2024)
Fréderic Célerse, Matthew D Wodrich, Sergi Vela, Simone Gallarati, Raimon Fabregat, Veronika Juraskova, Clémence Corminbœuf
From Organic Fragments to Photoswitchable Catalysts: The OFF-ON Structural Repository for Transferable Kernel-Based Potentials. Journal of chemical information and modeling 64 (4) (2024)
Yuri Cho, Milagros Medina, Sergi Vela, Clémence Corminbœuf
Automated prediction of ground state spin for transition metal complexes. Digital discovery 3 (8) (2024)
Fréderic Célerse, Matthew D Wodrich, Sergi Vela, Simone Gallarati, Raimon Fabregat, Veronika Juraskova, Clémence Corminbœuf
From Organic Fragments to Photoswitchable Catalysts: The OFF-ON Structural Repository for Transferable Kernel-Based Potentials. Journal of chemical information and modeling 64 (4) (2024)
Fréderic Célerse, Matthew D Wodrich, Sergi Vela, Simone Gallarati, Raimon Fabregat, Veronika Juraskova, Clémence Corminbœuf
From Organic Fragments to Photoswitchable Catalysts: The OFF-ON Structural Repository for Transferable Kernel-Based Potentials. Journal of chemical information and modeling 64 (4) (2024)
Yuri Cho, Milagros Medina, Sergi Vela, Clémence Corminbœuf
Automated prediction of ground state spin for transition metal complexes. Digital discovery 3 (8) (2024)
Fréderic Célerse, Matthew D Wodrich, Sergi Vela, Simone Gallarati, Raimon Fabregat, Veronika Juraskova, Clémence Corminbœuf
From Organic Fragments to Photoswitchable Catalysts: The OFF-ON Structural Repository for Transferable Kernel-Based Potentials. Journal of chemical information and modeling 64 (4) (2024)
Fréderic Célerse, Matthew D Wodrich, Sergi Vela, Simone Gallarati, Raimon Fabregat, Veronika Juraskova, Clémence Corminbœuf
From Organic Fragments to Photoswitchable Catalysts: The OFF-ON Structural Repository for Transferable Kernel-Based Potentials. Journal of chemical information and modeling (2024)
J Terence Blaskovits, Milagros Medina, Sergi Vela, Clémence Corminbœuf
Data-Driven Discovery of Organic Electronic Materials Enabled by Hybrid Top-Down/Bottom-Up Design. Advanced materials (Deerfield Beach, Fla.) (2023)
Simone Gallarati, Puck van Gerwen, Milagros Medina, Sergi Vela, Alberto Fabrizio, Clémence Corminbœuf
OSCAR: an extensive repository of chemically and functionally diverse organocatalysts. Chemical science 13 (46) (2022)
Simone Gallarati, Puck van Gerwen, Milagros Medina, Sergi Vela, Alberto Fabrizio, Clémence Corminbœuf
OSCAR: an extensive repository of chemically and functionally diverse organocatalysts. Chemical science 13 (46) (2022)
J Terence Blaskovits, Maria Fumanal, Sergi Vela, Yuri Cho, Clémence Corminbœuf
Heteroatom oxidation controls singlet-triplet energy splitting in singlet fission building blocks. Chemical communications (Cambridge, England) 58 (9) (2022)
Sergi Vela, Alberto Fabrizio, Ksenia R Briling, Clémence Corminbœuf
Learning the Exciton Properties of Azo-dyes. The journal of physical chemistry letters 12 (25) (2021)
Sergi Vela, Clémence Corminbœuf
The Photoisomerization Pathway(s) of Push-Pull Phenylazoheteroarenes*. Chemistry (Weinheim an der Bergstrasse, Germany) 26 (64) (2020)
Sergi Vela, Alan Scheidegger, Raimon Fabregat, Clémence Corminbœuf
Tuning the Thermal Stability and Photoisomerization of Azoheteroarenes through Macrocycle Strain*. Chemistry (Weinheim an der Bergstrasse, Germany) 27 (1) (2020)
Clàudia Climent, Sergi Vela, Joaquim Jornet-Somoza, Mercè Deumal
Revising the common understanding of metamagnetism in the molecule-based bisdithiazolyl BDTMe compound. Physical chemistry chemical physics : PCCP 21 (23) (2019)
Sergi Vela, Constantin Krüger, Clémence Corminbœuf
Exploring chemical space in the search for improved azoheteroarene-based photoswitches. Physical chemistry chemical physics : PCCP 21 (37) (2019)
Kuppusamy Senthil Kumar, Sergi Vela, Benoît Heinrich, Nithin Suryadevara, Lydia Karmazin, Corinne Bailly, Manfred M Kappes
Bi-stable spin-crossover in charge-neutral [Fe(R-ptp)2] (ptp = 2-(1H-pyrazol-1-yl)-6-(1H-tetrazol-5-yl)pyridine) complexes. Dalton transactions (Cambridge, England : 2003) 49 (4) (2019)
Sébastien Dhers, Abhishake Mondal, David Aguilà, Juan Ramírez, Sergi Vela, Pierre Dechambenoit, Mathieu Rouzières, Jonathan R Nitschke, Rodolphe Clérac, Jean-Marie Lehn
Spin State Chemistry: Modulation of Ligand p Ka by Spin State Switching in a [2×2] Iron(II) Grid-Type Complex. Journal of the American Chemical Society 140 (26) (2018)
Carlos Bartual-Murgui, Rosa Diego, Sergi Vela, Simon J Teat, Olivier Roubeau, Guillem Aromí
A Spin-Crossover Molecular Material Describing Four Distinct Thermal Pathways. Inorganic chemistry 57 (17) (2018)
Maria Fumanal, Sergi Vela, Hugo Gattuso, Antonio Monari, Chantal Daniel
Absorption Spectroscopy and Photophysics of a ReI -dppz Probe for DNA-Mediated Charge Transport. Chemistry (Weinheim an der Bergstrasse, Germany) 24 (54) (2018)
Sergi Vela, Hauke Paulsen
Cooperativity in Spin Crossover Systems. An Atomistic Perspective on the Devil's Staircase. Inorganic chemistry 57 (15) (2018)
Sergi Vela, Martin Verot, Emmanuel Fromager, Vincent Robert
Electron transport through a spin crossover junction. Perspectives from a wavefunction-based approach. The Journal of chemical physics 146 (6) (2018)
Maria Fumanal, Fernando Jiménez-Grávalos, Jordi Ribas-Ariño, Sergi Vela
Lattice-Solvent Effects in the Spin-Crossover of an Fe(II)-Based Material. The Key Role of Intermolecular Interactions between Solvent Molecules. Inorganic chemistry 56 (8) (2017)
Sergi Vela, Manuel Souto, Imma Ratera, Concepció Rovira, Jaume Veciana
Understanding the Influence of the Electronic Structure on the Crystal Structure of a TTF-PTM Radical Dyad. The journal of physical chemistry. A 120 (51) (2016)

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Publication Activity (10 Years)

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Sergi Vela