Explore the words cloud of the APES project. It provides you a very rough idea of what is the project "APES" about.
The following table provides information about the project.
Coordinator |
UNIVERZITA KARLOVA
Organization address contact info |
Coordinator Country | Czech Republic [CZ] |
Project website | http://quantum.karlov.mff.cuni.cz/ |
Total cost | 924˙375 € |
EC max contribution | 924˙375 € (100%) |
Programme |
1. H2020-EU.1.1. (EXCELLENT SCIENCE - European Research Council (ERC)) |
Code Call | ERC-2017-STG |
Funding Scheme | ERC-STG |
Starting year | 2018 |
Duration (year-month-day) | from 2018-01-01 to 2022-12-31 |
Take a look of project's partnership.
# | ||||
---|---|---|---|---|
1 | UNIVERZITA KARLOVA | CZ (PRAHA 1) | coordinator | 924˙375.00 |
The description of high pressure phases or polymorphism of molecular solids represents a significant scientific challenge both for experiment and theory. Theoretical methods that are currently used struggle to describe the tiny energy differences between different phases. It is the aim of this project to develop a scheme that would allow accurate and reliable predictions of the binding energies of molecular solids and of the energy differences between different phases. To reach the required accuracy, we will combine the coupled cluster approach, widely used for reference quality calculations for molecules, with the random phase approximation (RPA) within periodic boundary conditions. As I have recently shown, RPA-based approaches are already some of the most accurate and practically usable methods for the description of extended systems. However, reliability is not only a question of accuracy. Reliable data need to be precise, that is, converged with the numerical parameters so that they are reproducible by other researchers. Reproducibility is already a growing concern in the field. It is likely to become a considerable issue for highly accurate methods as the calculated energies have a stronger dependence on the simulation parameters such as the basis set size. Two main approaches will be explored to assure precision. First, we will develop the so-called asymptotic correction scheme to speed-up the convergence of the correlation energies with the basis set size. Second, we will directly compare the lattice energies from periodic and finite cluster based calculations. Both should yield identical answers, but if and how the agreement can be reached for general system is currently far from being understood for methods such as coupled cluster. Reliable data will allow us to answer some of the open questions regarding the stability of polymorphs and high pressure phases, such as the possibility of existence of high pressure ionic phases of water and ammonia.
Are you the coordinator (or a participant) of this project? Plaese send me more information about the "APES" project.
For instance: the website url (it has not provided by EU-opendata yet), the logo, a more detailed description of the project (in plain text as a rtf file or a word file), some pictures (as picture files, not embedded into any word file), twitter account, linkedin page, etc.
Send me an email (fabio@fabiodisconzi.com) and I put them in your project's page as son as possible.
Thanks. And then put a link of this page into your project's website.
The information about "APES" are provided by the European Opendata Portal: CORDIS opendata.
High-throughput single-cell phenotypic analysis of functional antibody repertoires
Read MoreWhy is the world green: testing top-down control of plant-herbivore food webs by experiments with birds, bats and ants
Read MoreChemistry and interface tailored lead-free relaxor thin films for energy storage capacitors
Read More