School on Electronic Structure and Quantum Transport Methods

Start time: October 13, 2014.

Ends on: October 24, 2014.

Location: São Paulo, Brazil

Venue: IFT-UNESP

Organizers:  

Adalberto Fazzio (IF-USP), Alexandre Reily Rocha (IFT-UNESP) and Sandro Scandolo (ICTP-Trieste)

Minicourse Lecturers:

  • Ralph Gebauer (ICTP – Trieste / Italy) – Time-Dependent Density Functional Theory
  • Caio Lewenkopf  (UFF / Brazil) – Electronic Transport Theory: Equilibrium and Out-of-Equilibrium
  • Caetano Rodrigues Miranda (UFABC / Brazil) – Multi-Scale Methods
  • Mariana Rossi (Oxford University / United Kingdom) – Path Integrals applied to Quantum dynamics in molecules
  • Ivan Rungger (Trinity College Dublin / Ireland) – Non-Equilibrium Transport in Density Functional Theory

Seminar Speakers:

  • Alex Antonelli (UNICAMP / Brazil)
  • Karen Hallberg (Centro Atómico Bariloche, Instituto Balseiro, Argentina)
  • Belita Koiller (UFRJ / Brazil)
  • Antônio José Roque da Silva (LNLS / Brazil)
  • Kristian Sommer Thygesen (Technical University of Denmark)

Tutorials:

  • Rodrigo Garcia Amorim (Uppsala University/ Sweden)
  • Ralph Gebauer (ICTP – Trieste / Italy)
  • Matheus P. Lima (USP-São Paulo / Brazil)
  • Luana Sucupira Pedroza (ICTP-SAIFR / Brazil)
  • Ivan Rungger (Trinity College Dublin / Ireland)

Description:

The first aim of this school is to introduce the theoretical framework of computational condensed matter physics through mini-courses taught by prominent researchers in their corresponding fields.  The second aim is to introduce students to the available computational tools through hands-on tutorials provided by the developers of the computational codes. The third and final aim is to explain the current limitations of the tools available and to introduce through research seminars a number of state-of-the-art approaches to overcoming these limitations.

The school is intended for graduate students and young researchers in the fields of theoretical condensed matter physics and computational chemistry. A basic knowledge of condensed matter and/or atomic  and molecular physics  is preferred. There is no registration fee and limited funds are available for local and travel support of participants.

 

Application deadline: August 18

Announcement

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Programme:pdf programme_updated on October 10

FIRST WEEK: October 13 to 17
Monday, October 13
9:00 –   9:45 REGISTRATION
10:00 – 11:00 Antônio José Roque da Silva
11:00 – 11:30 COFFEE BREAK
11:30 – 12:30 Multi Scale Methods – I
12:30 – 14:00 LUNCH
14:00 – 15:00 Time Dependent DFT – I
15:00 – 15:30 COFFEE BREAK
15:30 – 16:30 Tutorial – SIESTA
16:30 – 19:30 Tutorial – SIESTA
Tuesday, October 14
10:00 – 11:00 Multi Scale Methods – II
11:00 – 11:30 COFFEE BREAK
11:30 – 12:30 Time Dependent DFT – II
12:30 – 14:00 LUNCH
14:00 – 15:00 Tutorial – Ab initio MD
15:00 – 16:00 Tutorial – Ab initio MD
16:00 – 16:30 COFFEE BREAK
16:30 – 19:30 Tutorial – Ab initio MD
Wednesday, October 15
10:00 – 11:00 Multi Scale Methods – III
11:00 – 11:30 COFFEE BREAK
11:30 – 12:30 Path Integrals – I
12:30 – 14:00 LUNCH
14:00 – 15:30 IFT – Colloquium
15:30 – 16:00 COFFEE BREAK
16:00 – 19:30 FREE AFTERNOON
Thursday, October 16
10:00 – 11:00 Time Dependent DFT – III
11:00 – 11:30 COFFEE BREAK
11:30 – 12:30 Luana Pedroza
12:30 – 14:00 LUNCH
14:00 – 15:00 Tutorial – Espresso
15:00 – 16:00 Tutorial – Espresso
16:00 – 16:30 COFFEE BREAK
16:30 – 19:30 Tutorial – Espresso
Friday, October 17
10:00 – 11:00 Path Integrals II
11:00 – 11:30 COFFEE BREAK
11:30 – 12:30 Belita Koiler
12:30 – 14:00 LUNCH
14:00 – 15:00 Tutorial – FHI Aims
15:00 – 16:00 Tutorial – FHI Aims
16:00 – 16:30 COFFEE BREAK
16:30 – 19:30 Tutorial – Path Integrals
Saturday and Sunday, October 18 e 19
All day FREE DAY
SECOND WEEK: October 20 to 24
Monday, October 20
10:00 – 11:00 Electronic Transport Theory – I
11:00 – 11:30 COFFEE BREAK
11:30 – 12:30 Karen Hallberg
12:30 – 14:00 LUNCH
14:00 – 15:00 Tutorial – TransSampa
15:00 – 16:00 Tutorial – TransSampa
16:00 – 16:30 COFFEE BREAK
16:30 – 19:30 Tutorial– TransSampa
Tuesday, October 21
10:00 – 11:00 Electronic Transport + DFT – I
11:00 – 11:30 COFFEE BREAK
11:30 – 12:30 Electronic Transport Theory – II
12:30 – 14:00 LUNCH
14:00 – 16:00 Tutorial – GPAW
16:00 – 16:30 COFFEE BREAK
16:30 – 19:30 Tutorial – GPAW
Wednesday, October 22
10:00 – 11:00 Electronic Transport + DFT – II
11:00 – 11:30 COFFEE BREAK
11:30 – 12:30 Kristian Thygsen
12:30 – 14:00 LUNCH
14:00 – 15:30 IFT – Colloquium
15:30 – 16:00 COFFEE BREAK
16:00 – 19:30 FREE AFTERNOON
Thursday, October 23
10:00 – 11:00 Electronic Transport Theory – III
11:00 – 11:30 COFFEE BREAK
11:30 – 12:30 Alex Antonelli
12:30 – 14:00 LUNCH
14:00 – 15:00 Tutorial – Smeagol
15:00 – 16:00 Tutorial – Smeagol
16:00 – 16:30 COFFEE BREAK
16:30 – 19:30 Tutorial – Smeagol
Friday, October 24
10:00 – 11:00 Electronic Transport + DFT – III
11:00 – 11:30 COFFEE BREAK
11:30 – 12:30 Rodrigo Garcia Amorim
12:30 – 12:45 CLOSING REMARKS
12:45 – 14:00 LUNCH

List of Participants: Updated on Oct 9

General Information: General Information Sheet –  Useful information specially for those who are not from São Paulo city.

Accommodation: Participants whose accommodation has been arranged and paid by the institute will stay at The Universe Flat. Each participant whose accommodation has been arranged by the institute has received the details about the accommodation individually by email.

Registration: ALL participants should register. The registration will be on October 13  from 9:00 to 9:45 at the institute. You can find arrival instruction at http://www.ictp-saifr.org/?page_id=195.

Upon registration, participants who are receiving financial support, please bring a photocopy of your ID or passport.

BOARDING PASS: All participants, whose travel has been provided or will be reimbursed by the institute, should bring the boarding pass upon registration, and collect an envelope to send the return boarding pass to the institute.

Emergency number: 9 8233 8671 (from São Paulo city); +55 11 9 8233 8671 (from abroad), 11 9 8233 8671 (from outside São Paulo).

Ground transportation instructions:

Ground transportation from Guarulhos Airport to The Universe Flat

Ground transportation from The Universe Flat to the institute

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