693.932 PEOPLE
| People | Locations | Statistics |
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| Naji, M. |
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| Motta, Antonella |
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| Aletan, Dirar |
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| Mohamed, Tarek |
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| Ertürk, Emre |
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| Taccardi, Nicola |
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| Kononenko, Denys |
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| Petrov, R. H. | Madrid |
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| Alshaaer, Mazen | Brussels |
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| Bih, L. |
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| Casati, R. |
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| Muller, Hermance |
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| Kočí, Jan | Prague |
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| Šuljagić, Marija |
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| Kalteremidou, Kalliopi-Artemi | Brussels |
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| Azam, Siraj |
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| Ospanova, Alyiya |
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| Blanpain, Bart |
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| Ali, M. A. |
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| Popa, V. |
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| Rančić, M. |
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| Ollier, Nadège |
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| Azevedo, Nuno Monteiro |
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| Landes, Michael |
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| Rignanese, Gian-Marco |
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Ghiringhelli, Luca M.
Friedrich-Alexander-Universität Erlangen-Nürnberg
in Cooperation with on an Cooperation-Score of 37%
Topics
Publications (76/76 displayed)
- 2025How big is big data?citations
- 2025Extrapolation to the complete basis-set limit in density-functional theory using statistical learningcitations
- 2024Discovering dynamic laws from observations: The case of self-propelled, interacting colloidscitations
- 2023Recent advances in the SISSO method and their implementation in the SISSO++ codecitations
- 2023Accelerating materials-space exploration for thermal insulators by mapping materials properties via artificial intelligencecitations
- 2023Shared metadata for data-centric materials sciencecitations
- 2022Identifying Outstanding Transition-Metal-Alloy Heterogeneous Catalysts for the Oxygen Reduction and Evolution Reactions via Subgroup Discoverycitations
- 2022Hierarchical Symbolic Regression for Identifying Key Physical Parameters Correlated with Bulk Properties of Perovskitescitations
- 2022The NOMAD Artificial-Intelligence Toolkit: turning materials-science data into knowledge and understandingcitations
- 2022Numerical quality control for DFT-based materials databasescitations
- 2022TCMI: a non-parametric mutual-dependence estimator for multivariate continuous distributionscitations
- 2022Correction to: Identifying Outstanding Transition-Metal-Alloy Heterogeneous Catalysts for the Oxygen Reduction and Evolution Reactions via Subgroup Discovery
- 2022SISSO++: A C++ Implementation of the Sure-Independence Screening and Sparsifying Operator Approachcitations
- 2021Materials genes of heterogeneous catalysis from clean experiments and artificial intelligencecitations
- 2021Data-driven equation for drug–membrane permeability across drugs and membranescitations
- 2021Trends in atomistic simulation software usage [Article v1.0]citations
- 2021Learning design rules for selective oxidation catalysts from high-throughput experimentation and artificial intelligence
- 2021Publisher’s Note: “Data-driven equation for drug–membrane permeability across drugs and membranes” [J. Chem. Phys. 154, 244114 (2021)]
- 2021Robust recognition and exploratory analysis of crystal structures via Bayesian deep learningcitations
- 2021An AI-toolkit to develop and share research into new materialscitations
- 2020Identifying domains of applicability of machine learning models for materials sciencecitations
- 2020Towards Experimental Handbooks in Catalysiscitations
- 2019Crowd-sourcing materials-science challenges with the NOMAD 2018 Kaggle competitioncitations
- 2019New tolerance factor to predict the stability of perovskite oxides and halidescitations
- 2019Determining surface phase diagrams including anharmonic effectscitations
- 2019Simultaneous learning of several materials properties from incomplete databases with multi-task SISSOcitations
- 2019(Meta-)stability and Core–Shell Dynamics of Gold Nanoclusters at Finite Temperaturecitations
- 2018Insightful classification of crystal structures using deep learningcitations
- 2018GAtor: A First-Principles Genetic Algorithm for Molecular Crystal Structure Prediction
- 2017Learning physical descriptors for materials science by compressed sensing
- 2017Erratum:“Intense fluorescence of Au20”[J. Chem. Phys. 147, 074301 (2017)]
- 2017Theoretical evidence for unexpected O-rich phases at corners of MgO surfaces
- 2017Towards efficient data exchange and sharing for big-data driven materials science: metadata and data formats
- 2017Levy-Lieb-Based Monte Carlo Study of the Dimensionality Behaviour of the Electronic Kinetic Functional
- 2017Uncovering structure-property relationships of materials by subgroup discovery
- 2017Intense fluorescence of Au20
- 2017Identifying consistent statements about numerical data with dispersion-corrected subgroup discovery
- 2015Computational design of nanoclusters by property-based genetic algorithms: Tuning the electronic properties of (TiO 2) n clusters
- 2015Strengthening gold--gold bonds by complexing gold clusters with noble gases
- 2015Big data of materials science: critical role of the descriptor
- 2014Application of (Kohn--Sham) Density-Functional Theory to Real Materials
- 2014Reaction cycles and poisoning in catalysis by gold clusters: A thermodynamics approach
- 2014A quantum reactive scattering perspective on electronic nonadiabaticity
- 2014Efficient ab initio schemes for finding thermodynamically stable and metastable atomic structures: Benchmark of cascade genetic algorithms
- 2014Trends in the adsorption and dissociation of water clusters on flat and stepped metallic surfaces
- 2013Analytic Approach and Monte Carlo Sampling for Electron Correlations
- 2013Not so loosely bound rare gas atoms: finite-temperature vibrational fingerprints of neutral gold-cluster complexes
- 2013Electronic energy functionals: Levy--Lieb principle within the ground state path integral quantum Monte Carlo
- 2013Stability and metastability of clusters in a reactive atmosphere: Theoretical evidence for unexpected stoichiometries of mg M o x
- 2012Autocatalytic and cooperatively stabilized dissociation of water on a stepped platinum surface
- 2011Proton wires via one-dimensional water chains adsorbed on metallic steps
- 2011Free gold clusters: beyond the static, monostructure description
- 2011Theory and hierarchical calculations of the structure and energetics of [0001] tilt grain boundaries in graphene
- 2010Interacting electrons, spin statistics, and information theory
- 2010Information-theoretic approach to kinetic-energy functionals: the nearly uniform electron gas
- 2010Liquid carbon: Freezing line and structure near freezing
- 2009Surface-induced crystallization in supercooled tetrahedral liquids
- 2008State-of-the-art models for the phase diagram of carbon and diamond nucleation
- 2008Competing adsorption between hydrated peptides and water onto metal surfaces: from electronic to conformational properties
- 2008Design of kinetic functionals for many-body electron systems: Combining analytical theory with Monte Carlo sampling of electronic configurations
- 2008Phenylalanine near inorganic surfaces: conformational statistics vs specific chemistry
- 2007The interplay between surface--water and hydrogen bonding in a water adlayer on Pt (111) and Ag (111)
- 2007Simulating the phosphorus fluid--liquid phase transition up to the critical point
- 2007Phenol near Ni (111), Ni (110), and Ni (221) surfaces in a vertical ring geometry: a density functional study of the oxygen-surface bonding and OH cleavage
- 2007Local structure of liquid carbon controls diamond nucleation
- 2007Alkanethiol headgroup on metal (111)-surfaces: general features of the adsorption onto group 10 and 11 transition metals
- 2007Interaction of hydrated amino acids with metal surfaces: A multiscale modeling description
- 2006On the Nature of phase transitions in covalent liquids
- 2006Adsorption of alanine on a Ni (111) surface: A multiscale modeling oriented density functional study
- 2006Erratum: Improved long-range reactive bond-order potential for carbon. I. Construction [Phys. Rev. B 72, 214102 (2005)]
- 2005Liquid carbon: structure near the freezing line
- 2005Modeling the phase diagram of carbon
- 2005Phosphorus: First principle simulation of a liquid--liquid phase transition
- 2005Improved long-range reactive bond-order potential for carbon. I. Construction
- 2005Improved long-range reactive bond-order potential for carbon. II. Molecular simulation of liquid carbon
- 2004High-pressure diamondlike liquid carbon
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