Opendata, web and dolomites

AutoCheMo SIGNED

Automatic generation of Chemical Models

Total Cost €

0

EC-Contrib. €

0

Partnership

0

Views

0

 AutoCheMo project word cloud

Explore the words cloud of the AutoCheMo project. It provides you a very rough idea of what is the project "AutoCheMo" about.

students    workshops    anharmonic    implementations    tool    esrs    group    respectively    actions    plenty    local    ideal    chemtrayzer    aachen    models    share    simulation    packages    center    flourish    software    derivation    extended    esr    surmount    enormous    dispersed    timeline    progress    modes    specialist    perspective    scm    quantum    phd    company    industrial    chemical    sometimes    reaxff    commercial    unfeasible    contains    reaction    limitations    leaders    tools    extensive    ghent    labor    transferable    reactors    simulations    network    bottlenecks    theory    molecular    platform    skills    beneficiaries    mechanical    decades    leonhard    oriented    touches    academic    automatic    university    theoretical    scaling    transition    scientific    training    collaborations    international    reliability    courses    events    networks    manual    corresponding    amount    description    rwth    exchange    collaborate    expertise    modeling    conjunction    exploration   

Project "AutoCheMo" data sheet

The following table provides information about the project.

Coordinator
SOFTWARE FOR CHEMISTRY & MATERIALS BV 

Organization address
address: DE BOELELAAN 1083
city: AMSTERDAM
postcode: 1081 HV
website: www.scm.com

contact info
title: n.a.
name: n.a.
surname: n.a.
function: n.a.
email: n.a.
telephone: n.a.
fax: n.a.

 Coordinator Country Netherlands [NL]
 Total cost 1˙035˙430 €
 EC max contribution 1˙035˙430 € (100%)
 Programme 1. H2020-EU.1.3.1. (Fostering new skills by means of excellent initial training of researchers)
 Code Call H2020-MSCA-ITN-2018
 Funding Scheme MSCA-ITN-EID
 Starting year 2018
 Duration (year-month-day) from 2018-09-01   to  2022-08-31

 Partnership

Take a look of project's partnership.

# participants  country  role  EC contrib. [€] 
1    SOFTWARE FOR CHEMISTRY & MATERIALS BV NL (AMSTERDAM) coordinator 413˙186.00
2    UNIVERSITEIT GENT BE (GENT) participant 313˙280.00
3    RHEINISCH-WESTFAELISCHE TECHNISCHE HOCHSCHULE AACHEN DE (AACHEN) participant 308˙963.00

Map

 Project objective

The scientific software company SCM, the Center for Molecular Modeling at Ghent University, and the Leonhard group at RWTH Aachen University, who share established collaborations in method development and software implementation as well as in the training of PhD students, propose to develop new concepts and tools to advance the field of complex reaction systems modelling. The automatic derivation of complex chemical models from molecular simulations has the potential to become a very cost-effective tool in the design of industrial chemical reactors. This has driven the enormous progress in the field over the past decades but the exploration of complex reaction networks currently still requires an extensive (and sometimes unfeasible) amount of manual labor. We will surmount these manual bottlenecks by extending established methodologies (ChemTraYzer, ReaxFF and transition state theory) and by addressing their main limitations (scaling towards extended systems, overall reliability and the quantum-mechanical description of anharmonic modes, respectively) with new theoretical models and their corresponding implementations in user-friendly simulation software. The project contains four well-aimed research-oriented work packages, with one ESR taking the lead in each topic but with plenty opportunities to collaborate and exchange results. Each topic touches upon the expertise of all beneficiaries, yet they all have their own commercial or academic perspective on the project. Research actions are organized in conjunction with local and network-wide training, including academic and industrial specialist courses, transferable skills training, (international) workshops and training-through-research. The training events are dispersed throughout the timeline of the project, which will be an ideal platform for the ESRs to flourish and become future leaders in academic or industrial research.

Are you the coordinator (or a participant) of this project? Plaese send me more information about the "AUTOCHEMO" 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 "AUTOCHEMO" are provided by the European Opendata Portal: CORDIS opendata.

More projects from the same programme (H2020-EU.1.3.1.)

EAGRE (2020)

Eagre/Aegir: high-seas wave-impact modelling

Read More  

SuperCol (2020)

SuperCol: Rational design of super-selective and responsive colloidal particles for biomedical applications

Read More  

ApPEARS (2019)

Appearance Printing - European Advanced Research School

Read More