Opendata, web and dolomites
H2020 projects about "dft"
The page lists 36 projects related to the topic "dft".
| # | |||
|---|---|---|---|
| 1 | OrganoMag | Organometallic Single-Molecule Magnets | 2015 |
| 2 | NEW4NEW | New methods for new materials | 2015 |
| 3 | C-Xaq | Cross-Coupling (C-X): Pioneering Mild Aqueous Cross-Coupling Methodologies to Enable Selective Functionalisation and Diversification of Halogenated Natural Products | 2015 |
| 4 | AccuCT | Accurate characterization of charge-transfer excited states | 2016 |
| 5 | DYNECAT | Microscopic Surface Dynamics of Pt and Pt Alloy Electrocatalysts under operation conditions | 2015 |
| 6 | corr-DFT | Improving the accuracy and reliability of electronic structure calculations: New exchange-correlation functionals from a rigorous expansion at infinite coupling strength | 2015 |
| 7 | ARPEMA | Anionic redox processes: A transformational approach for advanced energy materials | 2015 |
| 8 | QFluctTrans | Thermodynamics of Quantum Transport | 2016 |
| 9 | VSHER | Mechanistic Understanding of Heterogenised Hydrogen Evolution Catalysts Through Vibrational Spectroelectrochemistry | 2016 |
| 10 | ThermalDFT | Density-Functional Theory for Thermoelectric Phenomena | 2016 |
| 11 | HECATE | Hydrogen at Extreme Conditions: Applying Theory to Experiment for creation, verification and understanding | 2016 |
| 12 | QSpec-NewMat | Quantum Spectroscopy: exploring new states of matter out of equilibrium | 2016 |
| 13 | IMPACT | The giant impact and the Earth and Moon formation | 2016 |
| 14 | MECHANISM | The effect of water on the Fischer-Tropsch reaction mechanism and kinetics over bimetallic Co-based catalysts: Theoretical and experimental studies | 2017 |
| 15 | CONIN | Effects of confinement on inhomogeneous systems | 2017 |
| 16 | MDFT | Mathematics of Density Functional Theory | 2017 |
| 17 | RelPro | Relativistic non-linear optical property calculations with density functional theory | 2017 |
| 18 | QCLAB | Revolutionary new quantum chemical software for molecular simulations | 2017 |
| 19 | CLUNATRA | Discovering new Catalysts in the Cluster-Nanoparticle Transition Regime | 2017 |
| 20 | 3DMOSHBOND | Three-Dimensional Mapping Of a Single Hydrogen Bond | 2018 |
| 21 | MAGSPEC | Spectra of Molecules in Strong Magnetic Fields | 2018 |
| 22 | VHDD | Computer-aided Van der Waal Heterostructure Device Design using Unique Response to Electric Fields | 2018 |
| 23 | topDFT | A topological approach to electron correlation in density-functional theories | 2018 |
| 24 | LIDOS | Light-Induced Spin Switch using Dynamic Organic Species | 2018 |
| 25 | TNFL-TMML | Topological New Fermions under Laser and New Topological Material Exploring via Machine Learning | 2018 |
| 26 | OTmeetsDFT | Multi-marginal Optimal Transport and Density Functional Theory: a mathematical setting for physical ideas | 2019 |
| 27 | SOT-2DvdW | Spin-Orbit Torque in 2D van der Waals Heterostructures | 2018 |
| 28 | PATCHES | Protein Adsorption onTo CHarged surfacES | 2018 |
| 29 | UBioRec | Development and Testing of a Reference Computational Platform for Understanding BiomolecularRecognition | 2018 |
| 30 | SCP-Disorder | Disordered and strongly-correlated systems: a new theoretical approach | 2019 |
| 31 | EMPaTHY | use of multiscale modElling to Minimize coke ProducTion during the methanol-to- HYdrocarbon process | 2019 |
| 32 | Biogas2Syngas | Rational Design for Coke-resistant Dry Reforming Catalyst using Combined Theory and Operando Raman Experiments | 2019 |
| 33 | CompBat | Computer aided desing for next generation flow batteries | 2020 |
| 34 | THEOCORPES | Theoretical Methods for Better Core Level Photoelectron Spectroscopy | 2021 |
| 35 | MesoSi-CO2 | Design of low-cost and carbon-resistant Ni-based mesoporous silicas for chemical CO2 utilization through tri-reforming of methane | 2020 |
| 36 | ReReDMFT | Development and implementation of reduced density matrix functionals for relativistic quantum chemistry. | 2021 |