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H2020 projects about "initio"

The page lists 68 projects related to the topic "initio".

# achronym  title  year 
1 BIVAQUM Bivariational Approximations in Quantum Mechanics and Applications to Quantum Chemistry 2015
2 EXMAG Excitonic Magnetism in Strongly Correlated Materials 2015
3 SEMICOMPLEX Divide and conquer ab initio semiclassical molecular dynamics for spectroscopic calculations of complex systems 2015
4 GRAFLEX Graphene curvature, flexibility and reactivity control by means of external fields: theory and computer simulations 2015
5 NAP-QDYS Nitroaromatics photophysics and photochemistry: a quantum dynamics study 2016
6 STEPDYN H2 and CH4 Dissociation Dynamics on Stepped Metal Surfaces via First-Principles Simulations 2016
7 UNRAVELS UNderstanding, descRibing And Visualizing Electronic charge in noveL oxide heteroStructures 2015
9 QUANTUMMETALINK Quantum Metamaterials: A Theoretical and Computational Approach Towards Seamlessly Integrated Hybrid Classical/Quantum Nano-structures 2015
10 VIRMETAL Virtual Design, Virtual Processing and Virtual Testing of Metallic Materials 2015
11 SPIRE Stars: dynamical Processes driving tidal Interactions, Rotation and Evolution 2015
12 EU-ToxRisk An Integrated European ‘Flagship’ Program Driving Mechanism-based Toxicity Testing and Risk Assessment for the 21st Century 2016
13 SUPERMAT The VIRTUAL Centre for Integration of INNOVATIVE synthesis and Processing methods for SUSTAINABLE advanced Materials operating under Extreme Conditions 2016
14 EDAX Beating Complexity through Selectivity: Excited state Dynamics from Anti-Stokes and non-linear resonant inelastic X-ray scattering 2016
15 SOLARACT Solar Dinitrogen Activation 2016
16 NAMDIA NonAdiabatic Molecular Dynamics of organic Intermediates in Atmospheric chemistry 2016
17 QuP Long Range Surface Plasmon Polaritons as an Alternative Information Carrier for Nanoscale Quantum Circuitry 2016
18 RAMSES Aryl amide metallofoldamersas selective saccharide sensors 2016
19 UTOPES Unifying concepts in the topological design of non-crystalline materials 2016
20 MOLEQULE Unraveling molecular quantum dynamics with accelerated ab initio algorithms 2016
21 InPairs In Silico Pair Plasmas: from ultra intense lasers to relativistic astrophysics in the laboratory 2016
22 IMPACT The giant impact and the Earth and Moon formation 2016
23 Burst3D Type I bursts in 3D 2016
24 CC4SOL Towards chemical accuracy in computational materials science 2017
25 UfastU Theory of ultra-fast dynamics in correlated multi-band systems 2017
26 NanoArray Optical lattices around a nanofiber waveguide 2016
27 MagBURST Exploding stars from first principles: MAGnetars as engines of hypernovae and gamma-ray BURSTs 2017
28 MODMAT Nonequilibrium dynamical mean-field theory: From models to materials 2017
29 MicroMod-PSII Microscopic modelling of the highly efficient intra- and inter-antennae energy transfer to the reaction centre in plant photosystem II 2017
30 ABISSE AB Initio Simulations for Super-Earths 2017
31 BFO-Surf Properties across dimensions: an atomistic computational study of bismuth ferrite surfaces and nanocrystals 2017
32 EXPHON Exciton-Phonon Coupling from First Principles 2017
33 XXQCD Excited and exotic hadron resonances from Quantum Chromodynamics 2017
34 BeBOP Quantum Dynamics Beyond the Born-Oppenheimer Picture: Making the most of wave function and trajectory-based approaches 2017
35 FERROVOLT For a better understanding and design of ferroelectric photovoltaics: First-principles study of optical absorption and charge-carrier transport at ferroelectric domain walls in BiFeO3 2017
36 TEC1p Big-Data Analytics for the Thermal and Electrical Conductivity of Materials from First Principles 2017
37 COSINE Training network for COmputational Spectroscopy In Natural sciences and Engineering 2018
38 FUN-PM Fundamental Understanding of Nanoparticle chemistry: towards the prediction of Particulate emissions and Material synthesis 2018
39 NewPhysLat Search for new physics through lattice simulations 2017
40 3DMOSHBOND Three-Dimensional Mapping Of a Single Hydrogen Bond 2018
41 PrecisionNuclei Strong interactions for precision nuclear physics 2018
42 PROMOFS Nanoengineering and Processing of Metal-Organic Framework Composites for Photonic Sensors 2018
43 SIMDAMA Strong-interaction matter coupled to electroweak probes and dark matter candidates 2018
44 TNFL-TMML Topological New Fermions under Laser and New Topological Material Exploring via Machine Learning 2018
45 COMEX COmputational Modelling for EXtreme conditions 2018
46 DCI A new method for theoretical spectroscopy of strongly correlated materials - dynamical configuration interaction 2018
47 TOUGHIT Tough Interface Tailored Nanostructured Metals 2018
48 NuWeld Integrated Modelling and Analysis of Multiple Component Carbides in Welded hardfacings 2018
49 ReaDy-NMR Relativistic and Dynamic effects in Computational NMR Spectroscopy of transition-metal complexes 2019
50 Radio-NP Computational characterisation of radiosensitising nanoparticles and their properties 2019
51 PREMOL At the crossroad of molecular physics, quantum optics and spectroscopy:ultra-high-precision molecular spectroscopy for fundamental physics 2018
52 DiSeTCom Dirac Semimetals based Terahertz Components 2019
53 ANDLICA Anderson Localization of Light by Cold Atoms 2019
54 PROMINENT Solar prominences: unraveling the ultimate condensation catastrophe 2019
55 DIEinPEACE Double Incremental Expansion in Potential Energies from Automized Computational Exploration 2019
56 EMAGICS Atomistic spin dynamics and spectroscopic investigation of spin-induced magnetoelectric multiferroic materials 2019
57 TAURUS Theory for A Unified descRiption of nUclear Structure 2019
58 NanoEnHanCeMent Nanoparticle Enhanced Hadron-therapy: a Comprehensive Mechanistic description 2020
59 multiQCD time-like observables from multi-level lattice QCD 2019
60 COLLEXISM Collisional excitation of interstellar molecules: towards reactive systems 2019
61 NANOCELL A DNA NANOtechology toolkit for artificial CELL design 2020
62 SPAWN Simulating particle acceleration within black hole magnetospheres 2020
63 NOTICE Novel Oxides and Topological Interfaces for quantum Computing Electronics 2020
64 Materials 4.0 Advancing materials design by high-accuracy finite-temperature first principles calculations accelerated by machine learning potentials 2021
65 CAMPVANS Investigation of carrier multiplication in van der Waals heterostructures for highly efficient solar cells 2021
66 PeSD-NeSL Photo-excited State Dynamics and Non-equilibrium States under Laser in Van der Waals Stacked Two-dimensional Materials 2020
67 NanoLight-QD Novel molecular spectroscopies by nanoconfined light shaping and ab initio quantum dynamics 2020
68 PROMISES Properties of nanomaterials made from misfit-layered compounds revealed by electron microscopy and simulations 2021