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