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Caribbean School on Electronic Structure Fundamentals and Methodologies

Joint ICTP-TWAS Caribbean School on Electronic Structure Fundamentals and Methodologies. 27 August-21 September, 2012. International Centre For Theoretical Physics. Universidad Industrial de Santander. Javier Antonio Montoya M, Universidad de Cartagena. Carlos L. Beltrán Ríos, Universidad Industrial de Santander. Carlos Jaime Barrios Hernandez, Universidad Industrial de Santander. Jose Sierra, Universidad del Magdalena. Structure of the School. 2nd and 3th Week: Advanced talks by the invited speakers.

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Caribbean School on Electronic Structure Fundamentals and Methodologies | caribeictp.uis.edu.co Reviews

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Joint ICTP-TWAS Caribbean School on Electronic Structure Fundamentals and Methodologies. 27 August-21 September, 2012. International Centre For Theoretical Physics. Universidad Industrial de Santander. Javier Antonio Montoya M, Universidad de Cartagena. Carlos L. Beltrán Ríos, Universidad Industrial de Santander. Carlos Jaime Barrios Hernandez, Universidad Industrial de Santander. Jose Sierra, Universidad del Magdalena. Structure of the School. 2nd and 3th Week: Advanced talks by the invited speakers.

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Caribbean School on Electronic Structure Fundamentals and Methodologies | caribeictp.uis.edu.co Reviews

https://caribeictp.uis.edu.co

Joint ICTP-TWAS Caribbean School on Electronic Structure Fundamentals and Methodologies. 27 August-21 September, 2012. International Centre For Theoretical Physics. Universidad Industrial de Santander. Javier Antonio Montoya M, Universidad de Cartagena. Carlos L. Beltrán Ríos, Universidad Industrial de Santander. Carlos Jaime Barrios Hernandez, Universidad Industrial de Santander. Jose Sierra, Universidad del Magdalena. Structure of the School. 2nd and 3th Week: Advanced talks by the invited speakers.

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caribeictp.uis.edu.co

1

Caribbean School on Electronic Structure Fundamentals and Methodologies

http://caribeictp.uis.edu.co/lectures.html

Joint ICTP-TWAS Caribbean School on Electronic Structure Fundamentals and Methodologies. 27 August-21 September, 2012. International Centre For Theoretical Physics. Universidad Industrial de Santander. SLIDES OF THE LECTURES. Forces: Calculating Them, Using Them. Ab inition Simulations of matter at extreme condition. Zen and the art of the computing simulation. Modeling materials using quantum mechanics and digital computers: variational principles, the Hellmann-Feynman theorem, density-functional theory.

2

Caribbean School on Electronic Structure Fundamentals and Methodologies

http://caribeictp.uis.edu.co/Programw2.html

Joint ICTP-TWAS Caribbean School on Electronic Structure Fundamentals and Methodologies. 27 August-21 September, 2012. International Centre For Theoretical Physics. Universidad Industrial de Santander. Week 2 (Q.E. Basic Skills). Week 2 - Schedule. The art of simulation. Input variables DFT pseudopotentials. Forces / stress Basic relaxation. Overview QE, Basic input variables. Magnetic systems (Fe magnetic, nonmagnetic). Setting up a surface calc. Structure Equation Of State.

3

Caribbean School on Electronic Structure Fundamentals and Methodologies

http://caribeictp.uis.edu.co/Programw3.html

Joint ICTP-TWAS Caribbean School on Electronic Structure Fundamentals and Methodologies. 27 August-21 September, 2012. International Centre For Theoretical Physics. Universidad Industrial de Santander. Week 3 (Q.E. Advanced Usage). Statistical sampling / MD. Defects in semiconductors and insulators. Optical props. Beyond DFT. GGA U / VdW. GGA U / VdW. Simulation of DNA radiation damage. Latin American Scientific Integration. Research talk Actinide Nitrides. Research talk Ultrathin carbon nanotubes.

4

Caribbean School on Electronic Structure Fundamentals and Methodologies

http://caribeictp.uis.edu.co/index.html

Joint ICTP-TWAS Caribbean School on Electronic Structure Fundamentals and Methodologies. 27 August-21 September, 2012. International Centre For Theoretical Physics. Universidad Industrial de Santander. Javier Antonio Montoya M, Universidad de Cartagena. Carlos L. Beltrán Ríos, Universidad Industrial de Santander. Carlos Jaime Barrios Hernandez, Universidad Industrial de Santander. Jose Sierra, Universidad del Magdalena. Structure of the School. 2nd and 3th Week: Advanced talks by the invited speakers.

5

Caribbean School on Electronic Structure Fundamentals and Methodologies

http://caribeictp.uis.edu.co/speakers.html

Joint ICTP-TWAS Caribbean School on Electronic Structure Fundamentals and Methodologies. 27 August-21 September, 2012. International Centre For Theoretical Physics. Universidad Industrial de Santander. Sandro Scandolo (ICTP, Italy). Stefano Baroni (SISSA, Italy). Jorge Kohanoff (Belfast, UK). Moreno Baricevic (DEMOCRITOS-SISSA, Italy. Stefano Fabris (DEMOCRITOS, Italy). Layla Martin Samos (DEMOCRITOS, Italy). Axel Kohlmeyer, Temple University (USA). Ralph Gebauer (ICTP, Italy). G J Diaz (ULA, Venezuela).

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Caribbean School on Electronic Structure Fundamentals and Methodologies

Joint ICTP-TWAS Caribbean School on Electronic Structure Fundamentals and Methodologies. 27 August-21 September, 2012. International Centre For Theoretical Physics. Universidad Industrial de Santander. Javier Antonio Montoya M, Universidad de Cartagena. Carlos L. Beltrán Ríos, Universidad Industrial de Santander. Carlos Jaime Barrios Hernandez, Universidad Industrial de Santander. Jose Sierra, Universidad del Magdalena. Structure of the School. 2nd and 3th Week: Advanced talks by the invited speakers.

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