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E-CAM SIGNED

An e-infrastructure for software, training and consultancy in simulation and modelling

Total Cost €

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EC-Contrib. €

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Partnership

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Project "E-CAM" data sheet

The following table provides information about the project.

Coordinator
ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE 

Organization address
address: BATIMENT CE 3316 STATION 1
city: LAUSANNE
postcode: 1015
website: www.epfl.ch

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 Switzerland [CH]
 Project website https://www.e-cam2020.eu/
 Total cost 4˙836˙896 €
 EC max contribution 4˙836˙895 € (100%)
 Programme 1. H2020-EU.1.4.1.3. (Development, deployment and operation of ICT-based e-infrastructures)
 Code Call H2020-EINFRA-2015-1
 Funding Scheme RIA
 Starting year 2015
 Duration (year-month-day) from 2015-10-01   to  2020-09-30

 Partnership

Take a look of project's partnership.

# participants  country  role  EC contrib. [€] 
1    ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE CH (LAUSANNE) coordinator 981˙318.00
2    UNIVERSITY COLLEGE DUBLIN, NATIONAL UNIVERSITY OF IRELAND, DUBLIN IE (DUBLIN) participant 555˙092.00
3    FORSCHUNGSZENTRUM JULICH GMBH DE (JULICH) participant 500˙603.00
4    CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE CNRS FR (PARIS) participant 398˙477.00
5    UNITED KINGDOM RESEARCH AND INNOVATION UK (SWINDON) participant 393˙098.00
6    ECOLE NORMALE SUPERIEURE DE LYON FR (LYON) participant 355˙576.00
7    FREIE UNIVERSITAET BERLIN DE (BERLIN) participant 282˙500.00
8    UNIVERSITAT DE BARCELONA ES (BARCELONA) participant 207˙500.00
9    MAX-PLANCK-GESELLSCHAFT ZUR FORDERUNG DER WISSENSCHAFTEN EV DE (MUENCHEN) participant 178˙750.00
10    UNIVERSITEIT VAN AMSTERDAM NL (AMSTERDAM) participant 176˙793.00
11    TECHNISCHE UNIVERSITAET WIEN AT (WIEN) participant 176˙780.00
12    THE CHANCELLOR MASTERS AND SCHOLARSOF THE UNIVERSITY OF CAMBRIDGE UK (CAMBRIDGE) participant 149˙650.00
13    SCUOLA NORMALE SUPERIORE IT (PISA) participant 116˙250.00
14    NATIONAL UNIVERSITY OF IRELAND GALWAY IE (Galway) participant 102˙100.00
15    SCUOLA INTERNAZIONALE SUPERIORE DI STUDI AVANZATI DI TRIESTE IT (TRIESTE) participant 71˙250.00
16    UNIVERSITA DEGLI STUDI DI ROMA LA SAPIENZA IT (ROMA) participant 63˙750.00
17    AALTO KORKEAKOULUSAATIO SR FI (ESPOO) participant 63˙702.00
18    CSC-TIETEEN TIETOTEKNIIKAN KESKUS OY FI (ESPOO) participant 63˙702.00
19    SCIENCE AND TECHNOLOGY FACILITIES COUNCIL UK (SWINDON) participant 0.00

Map

 Project objective

E-CAM will create, develop and sustain a European infrastructure for computational science applied to simulation and modelling of materials and of biological processes of industrial and societal importance. Building on the already significant network of 15 CECAM centres across Europe and the PRACE initiative, it will create a distributed, sustainable centre for simulation and modelling at and across the atomic, molecular and continuum scales.

The ambitious goals of E-CAM will be achieved through three complementary instruments:

1. development, testing, maintenance, and dissemination of robust software modules targeted at end-user needs; 2. advanced training of current and future academic and industrial researchers able to exploit these capabilities; 3. multidisciplinary, coordinated, top-level applied consultancy to industrial end-users (both large multinationals and SMEs).

The creation and development of this infrastructure will also impact academic research by creating a training opportunity for over 300 researchers in computational science as applied to their domain expertise.

It will also provide a structure for the optimisation and long-term maintenance of important codes and provide a route for their exploitation. Based on the requests from its industrial end-users, E-CAM will deliver new software in a broad field by creating over 200 new, robust software modules. The modules will be written to run with maximum efficiency on hardware with different architectures, available at four PRACE centres and at the Hartree Centre for HPC in Industry. The modules will form the core of a software library (the E-CAM library) that will continue to grow and provide benefit well beyond the funding period of the project.

E-CAM has a 60 month duration, involves 48 staff years of effort, has a total budget of €5,836,897 and is requesting funding from the EC of €4,836,897, commensurate with achieving its ambitious goals.

 Deliverables

List of deliverables.
E-CAM software porting and benchmarking data III Documents, reports 2020-01-14 14:20:54
E-CAM software platform IV Other 2020-01-14 14:20:55
Hardware developments IV Documents, reports 2020-01-14 14:20:53
Meso and multi-scale modelling E-CAM modules III Other 2020-01-14 14:20:52
E-CAM Public Wiki-like pages and newsletters III Documents, reports 2020-01-14 14:18:41
Hardware developments III Documents, reports 2020-01-14 14:18:40
Quantum dynamics E-CAM modules III Other 2020-01-14 14:20:54
ESDW guidelines and programme IV Documents, reports 2020-01-14 14:20:53
Classical MD E-CAM modules III Other 2020-01-14 14:20:54
Electronic structure E-CAM modules III Other 2019-12-17 16:43:51
E-CAM Public Wiki-like pages and newsletters II Documents, reports 2019-12-17 16:43:52
E-CAM software platform II Other 2019-12-17 16:43:51
Identification/selection of E-CAM electronic structure codes for development Documents, reports 2019-12-17 16:43:53
E-CAM software porting and benchmarking data I Documents, reports 2019-12-17 16:43:51
Electronic structure E-CAM modules I Other 2019-12-17 16:43:53
E-CAM software development tools Other 2019-12-17 16:43:51
Classical MD E-CAM modules I Other 2019-12-17 16:43:52
Classical MD E-CAM modules II Other 2019-12-17 16:43:53
Quantum dynamics ECAM modules I Other 2019-12-17 16:43:53
E-CAM software porting and benchmarking data II Documents, reports 2019-12-17 16:43:53
Hardware developments II Documents, reports 2019-12-17 16:43:52
Meso and Multimulti-scale modelling E-CAM modules II Other 2019-12-17 16:43:51
E-CAM software platform III Other 2019-12-17 16:43:53
Meso and multi-scale modelling E-CAM modules I Other 2019-12-17 16:43:51
Identification/selection of E-CAM quantum dynamics codes for development Documents, reports 2019-12-17 16:43:51
ESDW guidelines and programme III Documents, reports 2019-12-17 16:43:51
Electronic structure E-CAM modules II Other 2019-12-17 16:43:53
Quantum dynamics E-CAM modules II Other 2019-12-17 16:43:51
Data Management Plan Open Research Data Pilot 2019-12-17 16:43:51
E-CAM software platform I Documents, reports 2019-12-17 16:43:51
Identification/selection of E-CAM MD codes for development Documents, reports 2019-12-17 16:43:50
E-CAM Public Wiki-like pages and newsletters I Documents, reports 2019-12-17 16:43:51
Identification/selection of E-CAM meso and multi-scale modelling codes for development Documents, reports 2019-12-17 16:43:50
ESDW guidelines and programme I Documents, reports 2019-12-17 16:43:50
ESDW guidelines and programme II Documents, reports 2019-12-17 16:43:51
Hardware developments I Documents, reports 2019-12-17 16:43:51
ESDW technical software guidelines I Documents, reports 2019-12-17 16:43:51

Take a look to the deliverables list in detail:  detailed list of E-CAM deliverables.

 Publications

year authors and title journal last update
List of publications.
2018 David W. H. Swenson, Jan-Hendrik Prinz, Frank Noe, John D. Chodera, Peter G. Bolhuis
OpenPathSampling: A Python Framework for Path Sampling Simulations. 1. Basics
published pages: 813-836, ISSN: 1549-9618, DOI: 10.1021/acs.jctc.8b00626
Journal of Chemical Theory and Computation 15/2 2019-12-17
2018 Shourjya Sanyal, David F. Coker, Donal MacKernan
Unimolecular FRET sensors: Simple linker designs and properties
published pages: 44-50, ISSN: 1878-7789, DOI: 10.1016/j.nancom.2018.10.003
Nano Communication Networks 18 2019-12-17
2018 David W. H. Swenson, Jan-Hendrik Prinz, Frank Noe, John D. Chodera, Peter G. Bolhuis
OpenPathSampling: A Python Framework for Path Sampling Simulations. 2. Building and Customizing Path Ensembles and Sample Schemes
published pages: 837-856, ISSN: 1549-9618, DOI: 10.1021/acs.jctc.8b00627
Journal of Chemical Theory and Computation 15/2 2019-12-17
2018 Christian Krekeler, Animesh Agarwal, Christoph Junghans, Matej Praprotnik, Luigi Delle Site
Adaptive resolution molecular dynamics technique: Down to the essential
published pages: 24104, ISSN: 0021-9606, DOI: 10.1063/1.5031206
The Journal of Chemical Physics 149/2 2019-12-17
2019 M. Mališ, P. Kl. Barkoutsos, M. Ganzhorn, S. Filipp, D. J. Egger, S. Bonella, I. Tavernelli
Local control theory for superconducting qubits
published pages: , ISSN: 2469-9926, DOI: 10.1103/PhysRevA.99.052316
Physical Review A 99/5 2019-12-17
2017 P Giannozzi, O Andreussi, T Brumme, O Bunau, M Buongiorno Nardelli, M Calandra, R Car, C Cavazzoni, D Ceresoli, M Cococcioni, N Colonna, I Carnimeo, A Dal Corso, S de Gironcoli, P Delugas, R A DiStasio, A Ferretti, A Floris, G Fratesi, G Fugallo, R Gebauer, U Gerstmann, F Giustino, T Gorni, J Jia, M Kawamura, H-Y Ko, A Kokalj, E Küçükbenli, M Lazzeri, M Marsili, N Marzari, F Mauri, N L Nguyen,
Advanced capabilities for materials modelling with Quantum ESPRESSO
published pages: 465901, ISSN: 0953-8984, DOI: 10.1088/1361-648X/aa8f79
Journal of Physics: Condensed Matter 29/46 2019-12-17
2019 Luigi Delle Site, Christian Krekeler, John Whittaker, Animesh Agarwal, Rupert Klein, Felix Höfling
Molecular Dynamics of Open Systems: Construction of a Mean‐Field Particle Reservoir
published pages: 1900014, ISSN: 2513-0390, DOI: 10.1002/adts.201900014
Advanced Theory and Simulations 2/5 2019-12-17
2019 Horacio V. Guzman, Nikita Tretyakov, Hideki Kobayashi, Aoife C. Fogarty, Karsten Kreis, Jakub Krajniak, Christoph Junghans, Kurt Kremer, Torsten Stuehn
ESPResSo++ 2.0: Advanced methods for multiscale molecular simulation
published pages: 66-76, ISSN: 0010-4655, DOI: 10.1016/j.cpc.2018.12.017
Computer Physics Communications 238 2019-12-17
2018 Yusuf Shaidu, Emine Küçükbenli, Stefano de Gironcoli
Lithium Adsorption on Graphene at Finite Temperature
published pages: 20800-20808, ISSN: 1932-7447, DOI: 10.1021/acs.jpcc.8b05689
The Journal of Physical Chemistry C 122/36 2019-12-17
2018 Moritz Antlanger, Gerhard Kahl, Martial Mazars, Ladislav Å amaj, Emmanuel Trizac
The asymmetric Wigner bilayer
published pages: 244904, ISSN: 0021-9606, DOI: 10.1063/1.5053651
The Journal of Chemical Physics 149/24 2019-12-17

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