18th International Conference on Density-Functional Theory and its Applications

22-26 July 2019, Alicante, Spain

The “18th International Conference on Density-Functional Theory and its Applications” was held in Alicante, Spain, in July 2019. It was the next in the great series of biennial meetings, which have taken place in Paris (1995), Vienna (1997), Rome (1999), Madrid (2001), Brussels (2003), Geneva (2005), Amsterdam (2007), Lyon (2009), Athens (2011), Durham (2013), Debrecen (2015), and Tällberg (2017).

DFT constitutes undoubtedly one of the most brilliant quantum theories developed so far, used worldwide and with outstanding applications in many scientific fields. The conference covered all range of topics, from cutting-edge developments to fascinating applications and discoveries, bringing together scientists from all around the world and from many related fields.

The scientific schedule included plenary talks (40′), invited talks (30′), contributed talks (15′), and poster sessions, with contributions to the following broad topics:

  • New developments for exchange-correlation functionals
  • Time-dependent and real-time density-functional theory
  • Application of density-functional theory in condensed matter physics
  • Application of density-functional theory in chemistry
  • Application of density-functional theory in materials science
  • Strongly correlated systems & solids

The conference welcomed more than 190 participants from more than 35 countries representing the 5 continents. The event was sponsored by local institutions, like the “Faculty of Science”, the “Materials Science Research Institute” or the “Villa Universitaria” residence ; national organizations, like the specialized groups “Chemistry and Computation” and “Nanoscience and Molecular Materials”, both belonging to the “Spanish Royal Society of Chemistry”, and the “Autonomous University of Madrid”; as well as by international sponsors, like the “Psi-k” network, “Software for Chemistry and Materials” and the “Wien2k” program package. Finally, the the journals “Computation” (by MDPI), “International Journal of Quantum Chemistry” (by Wiley) and “Physical Chemistry Chemical Physics” (by RSC) also contributed to the sponsorship.

  • Best Contributed Talks Awards, sponsored by MDPI:

Pauline Colinet (ENS Lyon, France)

– Fabian Hofmann (Univ. Bayreuth, Germany)

  • Best Poster Contributions Awards, sponsored by Wiley:

– Fabian Bohle (Univ. Bonn, Germany)

– Guillaume Hoffmann (Univ. Normandie, France)

Dale Lonsdale (Univ. Melbourne, Australia)

Riccardo Rozza (Univ. Catania, Italy)

Mireia Via Nadal (Univ. Basque Country, Spain)

Tatiana Woller (Free Univ. Brussels, Belgium)

  • Organizing Committe:

Prof. Juan-Carlos Sancho-García (Universidad de Alicante, Spain), Prof. Emilio San-Fabián Maroto (Universidad de Alicante, Spain), Prof. José M. García de la Vega (Universidad Autónoma de Madrid, Spain), Prof. Paloma Calle Díez (Universidad Autónoma de Madrid, Spain), Prof. Laura Hermosilla Mínguez (Universidad Autónoma de Madrid, Spain)

  • International Scientific Committe:

Prof. Henry Chermette (Université de Lyon, France),  Prof. Claude A. Daul (University of Fribourg, Switzerland), Prof. Jose M. García de la Vega (Universidad Autónoma de Madrid, Spain), Prof. Paul Geerlings (Vrije Universiteit Brussel, Belgium), Prof. Paola Gori-Giorgi (Vrije Universiteit Amsterdam, Netherlands), Prof. Miguel A. L. Marques (Martin-Luther-University Halle-Wittenberg, Germany), Prof. Agnes Nagy (University of Debrecen, Hungary), Prof. Dennis R. Salahub (University of Calgary, Canada), Prof. Karlheinz Schwarz (Technical University Vienna, Austria), Prof. David J. Tozer (University of Durham, United Kingdom), Prof. Levente Vitos (KTH Stockholm, Sweden), Prof. Juan-Carlos Sancho-García (University of Alicante, Spain)

  • Plenary Speakers:

Prof. Carlo Adamo (Chimie ParisTech, France), Prof. Anastassia Alexandrova (University of California, USA), Prof. Paul Ayers (McMaster University, Canada), Prof. Laura Gagliardi (University of Minnesota, USA), Prof. Martin Head-Gordon (University of California-Berkeley, USA), Prof. David Beljonne (University of Mons, Belgium), Prof. Se Kyun Kwon (Pohang University of Science and Technology, South Korea), Prof. Christel Marian (University of Düsseldorf, Germany), Prof. Paula Mori-Sánchez (Autonomous University of Madrid, Spain), Prof. Katarzyna Pernal (Lodz University of Technology, Poland), Prof. Joachim Sauer (Humboldt-Universität, Germany), Prof. Gustavo Scuseria (Rice University, USA)

  • Invited Speakers:

Prof. Silvana Botti (University of Jena, Germany), Prof. Jose Ma. Soler (Autonomous University of Madrid, Spain), Prof. Julia Contreras-García (Pierre and Marie Curie University, France), Prof. Andrew Teale (University of Nottingham, UK), Prof. Juan Maria García Lastra (Technical University of Denmark, Denmark), Prof. Alexey Arbuznikov (Technical University of Berlin, Germany), Prof. Andreas Görling (Friedrich-Alexander-Universität Erlangen, Germany), Prof. Fabrizia Negri (Bologna University, Italy), Prof. Juan E. Peralta (Central Michigan University, USA), Prof. Ekaterina Pas (Monash University, Australia), Prof. Michal Otyepka (Regional Centre of Advanced Technologies and Materials, Czech Republic), Dr. Thomas Soini (Software for Chemistry & Materials), Prof. Shinji Tsuneyuki (The University of Tokyo, Japan), Prof. Lucas Visscher (VU Amsterdam, Netherlands), Prof. Anatole von Lilienfeld (University of Basel, Switzerland), Prof. Fabio Della Sala (University of Lecce, Italy), Dr. Eduard Matito (Donostia International Physics Center, Spain), Prof. Eduardo Menendez (Universidad de Chile, Chile), Prof. Eric Brémond (University Paris-Diderot, France)

  • Event website:


  • Full program and book of abstracts


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