Welcome

The VII Workshop on Novel Methods for Electronic Structure Calculations will be held at the 2nd floor, Pabellón G, Facultad de Ciencias of the Universidad de Chile on November 29th, November 30th, and December 1st, 2017.

The purpose of the meeting is to do an exhaustive description of first principles methods, the advantages of the study of materials using them and the importance of the ab initio methods to predict structural, electric, magnetic, electronic and other properties of solids. It is also sought to locate the state of the art of the modern techniques on first principles calculation, focusing on the study of materials. The seminar will be carried out with the contribution of foreign and local lecturers. Oral expositions of advanced students and recent PhD's are also encouraged.

Since 2005 we have organized the Workshop on Novel Methods for Electronic Structure Calculations, this time it will be their 7th edition. This meeting has been jointly developed by four South-American countries: Brazil, Chile, Uruguay and Argentina. Previous versions have been held at La Plata, Argentina and Montevideo, Uruguay. The workshop will be dedicated to provide an up-to-date overview of the different mechanisms of calculation on materials, as well as the study of different materials. In general, during the workshop an intense exchange between speakers and participants will be encouraged. Always the relaxed atmosphere that has been generated at the meeting has allowed communication between speakers and participants, generating ideas for new lines of work, participation in projects, etc.

Featured talks

  • Ricardo Grau Crespo, University of Reading: Compositional and configurational optimisation of the electronic structure of energy materials (PL1, Thursday Nov. 30th)
  • Volker Eyert, Materials Design in Practice: Atomistic Simulations in Science and Industry (PL2, Thursday Nov. 30th)
  • Aldo Romero, West Virginia University: Computational search and design of 2D materials and their Van der Waal heterostructures (PL3, Friday Dec. 1st)
  • Eduardo Bringa, Universidad de Cuyo y Conicet: Electronic excitations in classical molecular-dynamics simulations (PL4, Friday Dec. 1st)
  • Jorge Osorio Guillen, Universidad de Antioquia: Photocatalytic power of g C3N4 and Ta2O5 for solar fuel production from first-principles calculations-- quasi-particle theory and dispersive forces (PL5, Friday Dec. 1st)
SEE FIRST ANNOUNCEMENT HERE,
BOOK OF ABSTRACTS,

Main topics

The main topics of the workshop include, but are no limited to

  • Methods for electronic structure calculations: DFT and beyond
  • Computational Material Science: First Principles MD, Quantum Monte Carlo
  • Magnetism and Magnetic Materials
  • Materials for Energy
  • Surface Science
  • Highly Correlated Materials

International Organizing Committee

  • Dr. Ricardo Faccio (Universidad de La República, Montevideo, Uruguay)
  • Dr. Gonzalo Gutiérrez (Universidad de Chile, Santiago, Chile)
  • Dr. Eitel L. Peltzer y Blancá. (UNLP, La Plata, Argentina)
  • Dr. Helena Petrilli (Universidad de San Pablo, Sao Paulo, Brasil)

Local Organizing Committee

  • Carlos Cárdenas (DFC2, Facultad de Ciencias, Universidad de Chile)
  • Griselda García (Instituto de Física, P. Universidad Católica de Chile)
  • Gonzalo Gutiérrez (DFC2, Facultad de Ciencias, Universidad de Chile), chairperson
  • Claudia Loyola (Dep. Physics, Universidad Andrés Bello, Santiago)
  • Eduardo Menéndez (DFC2, Facultad de Ciencias, Universidad de Chile)
  • Francisco Muñoz (DFC2, Facultad de Ciencias, Universidad de Chile)
  • Diego Venegas-Yazigi (Facultad de Química y Biología, USACH)

Previous Workshops

Previous version of this workshop can be found at:


Location

The workshop will be held both at the Facultad de Ciencias of the Universidad de Chile, and Facultad de Física, P. Universidad Católica de Chile.

The first day, November 29th, will be held at Pontificia Universidad Católica de Chile (PUC), Campus SanJoaquin, Auditorio Ninolav Bralic.
On November 30th and December 1st, the conference will be held at the Facultad de Ciencias of the Universidad de Chile, at the 2nd floor of Pabellon G. located at Las Palmeras 3425, Ñuñoa, Santiago, Chile.

Facultad de Ciencias, Universidad de chile

We acknowledge support from Centro Latinoamericano de Física, CLAF; Facultad de Ciencias, Universidad de Chile; VID, Universidad de Chile; VID P. Universidad Católica de Chile; Fondecyt-Chile