Welcome
Activities 
2008
Barcelona, February 25-26, 2008
Amsterdam Density Functional (ADF) is a program for first-principles electronic structure calculations that makes use of density functional theory. ADF can be used in a wide variety of fields of the science that include various types of spectroscopy, the organic and inorganic chemistry, the pharmaceutical chemistry and the materials science. This workshop presents ADF, QUILD and ADF-GUI, as well as its new functionalities.
Agenda:
For more information see the PDF
(1.26 MB) file.
Place:
Laboratory, Annexus Building, CESCA
Language:
English
Registration:
Registration has been closed due to having reached the maximum amount of participants.
Organizers:
Amsterdam Density Functional (ADF) is a program for first-principles electronic structure calculations that makes use of density functional theory. ADF can be used in a wide variety of fields of the science that include various types of spectroscopy, the organic and inorganic chemistry, the pharmaceutical chemistry and the materials science. This workshop presents ADF, QUILD and ADF-GUI, as well as its new functionalities.
Agenda:
| • February, 25 |
|
|
9:00 |
Registration |
| 9:15 |
Welcome and
Introduction to ADF Workshop Marcel Swart, ICREA & UdG |
| 10:00 |
Lecture
ADF-tutor: Principles Matthias Bickelhaupt, Vrije Universiteit Amsterdam |
| 11:00 |
Coffee break |
| 11:30 |
Lecture
ADF-tutor: Applications Matthias Bickelhaupt, Vrije Universiteit Amsterdam |
| 12:30 |
Lecture
ADF-tutor: Applications Miquel Solà, UdG |
| 13:15 |
Lunch |
| 14:30 |
Introduction
to ADF-GUI: Practicalities Marcel Swart, ICREA & UdG |
| 14:45 |
Hands-on part
1 |
| 16:00 |
Coffee break |
| 16:30 |
Questions |
| 16:45 |
Hands-on part
2 |
| 18:00 |
End of session |
| • February, 26 |
|
| 9:00 |
Welcome |
| 9:15 |
Introducción a la segunda
sesión del workshop Marcel Swart, ICREA & UdG |
| 9:30 |
Lecture
ADF-tutor: Principles Carles Bo, URV |
| 10:30 |
Coffee break |
| 11:00 |
Lecture
ADF-tutor: Applications Josep Maria Poblet, URV |
| 12:00 |
Hands-on part
3 |
| 13:15 |
Lunch |
| 14:30 |
Questions Marcel Swart, ICREA & UdG |
| 14:45 |
Hands-on part
4 |
| 16:00 |
Coffee break |
| 16:30 |
Hands-on part
5 |
| 17:30 |
Final
Questions Marcel Swart, ICREA & UdG |
| 18:00 |
End of Workshop |
For more information see the PDF
(1.26 MB) file.Place:
Laboratory, Annexus Building, CESCA
Language:
English
Registration:
Registration has been closed due to having reached the maximum amount of participants.
Organizers:
 |
|
 |
||
Collaborator:
• 1st Workshop on the Repositorio Español de Ciencia y Tecnología (RECYT)
March 10-12, 2008
The Repositorio Español de Ciencia y Tecnología (RECYT) is a set of services for the Spanish scientific community with the aim of helping Spanish scientific journals to be more professional and international.
There is a public zone in RECYT (Library) where quality-proved Spanish Scientific Journals can be hosted and there is a private zone (User Home) that provides an editing tool to help publishing (including peer review, etc.). Each journal decides how to use RECYT. In that way, the editing tool can be used with no need of publishing the issues in the platform but in the journal home. Besides, it is possible to publish the journal in the platform without using the editing service.
Place:
Husa Chamartín Hotel
Agustín de Foxá Street
E-28036 Madrid
Organize:
Collaborate:
• 2nd Workshop on the Repositorio Español de Ciencia y Tecnología (RECYT)
June 25-27, 2008
The Repositorio Español de Ciencia y Tecnología (RECYT) is a set of services for the Spanish scientific community with the aim of helping Spanish scientific journals to be more professional and international.
There is a public zone in RECYT (Library) where quality-proved Spanish Scientific Journals can be hosted and there is a private zone (User Home) that provides an editing tool to help publishing (including peer review, etc.). Each journal decides how to use RECYT. In that way, the editing tool can be used with no need of publishing the issues in the platform but in the journal home. Besides, it is possible to publish the journal in the platform without using the editing service.
Place:
Training Room
Annexus Building, CESCA
Gran Capità Street
E-08034 Barcelona
Organize:
Collaborate:
• 3rd Workshop on the Repositorio Español de Ciencia y Tecnología (RECYT)
October 15-17, 2008
The Repositorio Español de Ciencia y Tecnología (RECYT) is a set of services for the Spanish scientific community with the aim of helping Spanish scientific journals to be more professional and international.
There is a public zone in RECYT (Library) where quality-proved Spanish Scientific Journals can be hosted and there is a private zone (User Home) that provides an editing tool to help publishing (including peer review, etc.). Each journal decides how to use RECYT. In that way, the editing tool can be used with no need of publishing the issues in the platform but in the journal home. Besides, it is possible to publish the journal in the platform without using the editing service.
Place:
Foxá 32 Hotel
Agustín de Foxá Street, 32
E-28036 Madrid
Organize:
Collaborate:
• How to use the Anella Científica and its services
November 6, 2008, 9:30-13:00
December 3-4
The workshop aims to cover the different aspects involved in the supercomputing area at CESCA. It will mainly focus on the tools and support provided to the scientific community in order to help them during their research activity.
The workshop is addressed to the PhD students who start using computational resources to support his scientific research, but also to the researchers who wants to gain an insight into the use of the available resources. The workshop is divided into two independent modules, which can be registered separately.
The first part is an elementary module that will give a general view of the available resources, their operation and the efficient way to use them. The second is specifically oriented to computational chemistry tools and will start with a short introduction to the modern theoretical methods. Afterwards, the scientific applications available, together with their methodologies and functionalities will be presented, giving a guideline to start using them.
The workshop will combine theoretical and hands-on sessions. Attendants are not required to have computational background, but a basic UNIX/Linux is recommended.
• Module 1: Working environment at CESCA (December 3rd)
• Module 2: Computational Chemistry tools at CESCA (December 4th)
Place:
Training Room
Annexus Building, CESCA
Gran Capità Street
E-08034 Barcelona
Instructors:
Alfred Gil and David Tur, CESCA
Cost and Registratrion:
This workshop is free of charge, but attendants must register by sending an email to secretaria
cesca.es.
Reservations will be accepted on a first comer, first serve
basis, due to limited capacity.
• Institutional Repositories: Practical Issuess
December 10, 17 & 18, 10:00-14:00
This course will be an introduction to the concepts of Open Access and institutional repositories. It will present the main characteristics that an institutional repository should have, pointing the importance of protecting authors's rights, technical aspects of DSpace software and all the needed requirements to create and maintain an institutional repository.
Agenda:
Biblioteca. Universitat Jaume I
Campus del Riu Sec
12071 Castelló de la Plana
Instructors:
Ignasi Labastida, UB
Ricard de la Vega, CESCA
Registration:
This course is only fot the university staff (PAS). Registration can be since November 25th to December 2nd at the UJI website.
Organize:
Collaborate:
 |
• 1st Workshop on the Repositorio Español de Ciencia y Tecnología (RECYT)
March 10-12, 2008
The Repositorio Español de Ciencia y Tecnología (RECYT) is a set of services for the Spanish scientific community with the aim of helping Spanish scientific journals to be more professional and international.
There is a public zone in RECYT (Library) where quality-proved Spanish Scientific Journals can be hosted and there is a private zone (User Home) that provides an editing tool to help publishing (including peer review, etc.). Each journal decides how to use RECYT. In that way, the editing tool can be used with no need of publishing the issues in the platform but in the journal home. Besides, it is possible to publish the journal in the platform without using the editing service.
Place:
Husa Chamartín Hotel
Agustín de Foxá Street
E-28036 Madrid
Organize:
 |
|
||
Collaborate:
• 2nd Workshop on the Repositorio Español de Ciencia y Tecnología (RECYT)
June 25-27, 2008
The Repositorio Español de Ciencia y Tecnología (RECYT) is a set of services for the Spanish scientific community with the aim of helping Spanish scientific journals to be more professional and international.
There is a public zone in RECYT (Library) where quality-proved Spanish Scientific Journals can be hosted and there is a private zone (User Home) that provides an editing tool to help publishing (including peer review, etc.). Each journal decides how to use RECYT. In that way, the editing tool can be used with no need of publishing the issues in the platform but in the journal home. Besides, it is possible to publish the journal in the platform without using the editing service.
Place:
Training Room
Annexus Building, CESCA
Gran Capità Street
E-08034 Barcelona
Organize:
|
|
||
Collaborate:
• 3rd Workshop on the Repositorio Español de Ciencia y Tecnología (RECYT)
October 15-17, 2008
The Repositorio Español de Ciencia y Tecnología (RECYT) is a set of services for the Spanish scientific community with the aim of helping Spanish scientific journals to be more professional and international.
There is a public zone in RECYT (Library) where quality-proved Spanish Scientific Journals can be hosted and there is a private zone (User Home) that provides an editing tool to help publishing (including peer review, etc.). Each journal decides how to use RECYT. In that way, the editing tool can be used with no need of publishing the issues in the platform but in the journal home. Besides, it is possible to publish the journal in the platform without using the editing service.
Place:
Foxá 32 Hotel
Agustín de Foxá Street, 32
E-28036 Madrid
Organize:
|
|
||
Collaborate:
• How to use the Anella Científica and its services
November 6, 2008, 9:30-13:00
Due to the recent Anella Científica renovation
and to its growth in the last years, as well in number of
institutions as in services, it's recommended to present it
to the user institutions.
For this reason, this seminar will deal with the
technological changes, the Anella functioning and
possibilities, and all the available services for the
university and scientific community.
Place:
Conference Room
Annexus Building, CESCA
Gran Capità Street
E-08034 Barcelona
Cost and
Registratrion:
This seminar is free of charge, but the technical
representative must register all the people of his
institution interested in attending by sending an email to
secretariacesca.es. Reservations will be done on a first
comer, first serve basis, due to the limited capacity.
December 3-4
The workshop aims to cover the different aspects involved in the supercomputing area at CESCA. It will mainly focus on the tools and support provided to the scientific community in order to help them during their research activity.
The workshop is addressed to the PhD students who start using computational resources to support his scientific research, but also to the researchers who wants to gain an insight into the use of the available resources. The workshop is divided into two independent modules, which can be registered separately.
The first part is an elementary module that will give a general view of the available resources, their operation and the efficient way to use them. The second is specifically oriented to computational chemistry tools and will start with a short introduction to the modern theoretical methods. Afterwards, the scientific applications available, together with their methodologies and functionalities will be presented, giving a guideline to start using them.
The workshop will combine theoretical and hands-on sessions. Attendants are not required to have computational background, but a basic UNIX/Linux is recommended.
• Module 1: Working environment at CESCA (December 3rd)
| 9:30 |
Registration |
| 9:45 |
Welcome and introduction |
| 10:00 |
Available resources: hardware and software
overview |
| 11:00 |
Coffee break |
| 11:15 |
Batch system: LSF |
| 12:15 |
Hands-on I |
| 13:15 |
Lunch break |
| 14:45 |
Developing
tools: compilers, debuggers and
profilers |
| 16:15 |
Hands-on part II |
| 17:30 |
End of first season |
• Module 2: Computational Chemistry tools at CESCA (December 4th)
| 9:30 |
Welcome |
| 9:45 |
Introduction to theoretical and computational
methods |
| 10:45 |
Theoretical
chemistry, biology and drug design
software |
| 11:30 |
Coffee break |
| 11:45 |
Working with Gaussian03 |
| 12:45 |
Hands-on III |
| 13:15 |
Lunch break |
| 14:45 |
Other computational chemistry software: GAMESS, NWChem and ADF |
| 15:15 |
Hands-on part IV |
| 17:30 |
End of Workshop |
Place:
Training Room
Annexus Building, CESCA
Gran Capità Street
E-08034 Barcelona
Instructors:
Alfred Gil and David Tur, CESCA
Cost and Registratrion:
This workshop is free of charge, but attendants must register by sending an email to secretaria
cesca.es.
Reservations will be accepted on a first comer, first serve
basis, due to limited capacity.• Institutional Repositories: Practical Issuess
December 10, 17 & 18, 10:00-14:00
This course will be an introduction to the concepts of Open Access and institutional repositories. It will present the main characteristics that an institutional repository should have, pointing the importance of protecting authors's rights, technical aspects of DSpace software and all the needed requirements to create and maintain an institutional repository.
Agenda:
- Repositories' history and the Open Access initiative.
- Meaning of the green route.
- Types of repositories, access and licenses of use.
- Intellectual property.
- Commands to deposit.
- Evaluation of repositories.
- Copyright transfer and repositories.
- DSpace: technical issuess.
Biblioteca. Universitat Jaume I
Campus del Riu Sec
12071 Castelló de la Plana
Instructors:
Ignasi Labastida, UB
Ricard de la Vega, CESCA
Registration:
This course is only fot the university staff (PAS). Registration can be since November 25th to December 2nd at the UJI website.
Organize:
 |
|
||
Collaborate: