Quantum and Theoretical Chemistry appeared in Spain around 1951, when a first article [J. I. Fernández Alonso, Compt. Rend. 1951, 233, 56–57, introduced by L. De Broglie – Nobel Prize in Physics in 1929] of this class was signed by a Spaniard scientist. The first computer (IBM 1620) for scientific applications was installed in the University of Valencia in 1965, under the supervision of J. I. Fernández-Alonso and operating with perforated cards.
Thanks to that group of pioneers (José Ignacio Ferńandez Alonso, Francisco Tomás, Javier Catalán, Federico Moscardó, Manuel Yáñez, Otilia Mó, Estanislao Silla, Jaime Fernández Rico, Antonio Pardo, Armando Riera, Antonio Macías, Joan Bertran, Salvador Senent, Julio Casado, Miguel Ángel Herráez, José M. Hernando, Luís Tel, José Largo Cabrerizo, Fernando Mata, Francisco J. Ordaz, José M. Leal, Carmela Valdemoro, Yves Smeyers, Santiago Olivella, Federico Peradejordi, Serafín Fraga, etc.) we enjoy today a lively and active community of researchers all around the country.
Quantum Chemistry established in Alicante dating back to 1981, when Federico Moscardó moved from Autonomous University of Madrid and the first PhD was read by Emilio San-Fabián in 1984. Nowadays, this discipline is taught here at undergraduate (Quantum Chemistry and Spectroscopy, 2nd year / Computational Chemistry, 4th year) and graduate levels, with DFT being always a major research topic.