The page lists 68 projects related to the topic "initio".
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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 |
8 | ALMA | ALL-SCALE PREDICTIVE DESIGN OF HEAT MANAGEMENT MATERIAL STRUCTURES WITH APPLICATIONS IN POWER ELECTRONICS | 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 |