Events

About
The IQTCUB is integrated by more than 60 researchers, experts in several fields of the Theoretical and Computational Chemistry
- About IQTC
  The Institute of Theoretical and Computational Chemistry of the Universitat de Barcelona (IQTCUB) is integrated by more than 60 researchers, experts in several fields of the Theoretical and Computational Chemistry. The research activity carried out at the IQTCUB covers methods and computational tools development, application of several techniques of electronic structures and simulation to problems in materials science, the study of reactivity and reaction dynamics in chemical reactions as well as of biological systems and soft-matter. The main goal is to generate synergies between researchers encouraging the interdisciplinary activities that allow to tackle new challenges. Another important goal is to share expertise in handling the computational resources, which are the main tools in this type of research. See the IQTCUB director’s welcome. For a more detailed information see the 2017 IQTCUB Scientific Activity Report and the XRQTC disseminating video.
- Director’s welcome
  The Institute of Theoretical and Computational Chemistry of the Universitat de Barcelona (IQTCUB) was created by the university Government Board on 27th November 2007 involving professors and researchers of different departments of the Faculties of Chemistry and Physics of the Universitat de Barcelona. Nowadays, also some groups of the Faculty of Pharmacy belong to the Institute. The common theme of the research projects conducted at the Institute is the use of methods that are rooted in quantum chemistry, recently it is also open to experimental groups of our Departments with deep collaborations with those focusing on computational chemistry. This should help to increase the multidisciplinary character of our research. Although traditionally the research at IQTCUB is mainly focused on chemistry, it is different from one would expect of a traditional chemist. Indeed, the common tools employed by the researchers at IQTCUB do not belong to a typical laboratory, but to a virtual computational “laboratory”. This “laboratory” is usually a gateway to our computational resources or to the supercomputing centers with even larger computacional facilities. The main goal of theoretical and computational chemistry is to achieve a detailed understanding of chemical and physical processes in order to assist in the interpretation…
- Direction team
  Direction team Prof. Eliseo Ruiz Sabin Director Prof. Jordi Poater Teixidor Secretary Prof. Iberio de P. Ribeiro Moreira Treasurer Prof. Francesc Illas i Riera Board Member
- Diversity, Inclusion and Equity Commission
- Scientific Advisory Board
- IQTCUB Annual Reports
  Here are of the annual IQTCUB activity reports that are available to download: IQTCUB report of 2018 ( CAT | ENG ) IQTCUB report of 2017 ( CAT | ENG ) IQTCUB report of 2016 ( CAT | ENG ) IQTCUB report of 2015 ( CAT | ENG ) IQTCUB report of 2014 ( CAT | ENG ) IQTCUB report of 2013 ( CAT | ENG ) IQTCUB report of 2012 ( CAT | ENG ) IQTCUB report of 2011 ( CAT ) IQTCUB report of 2010 ( CAT ) IQTCUB report of 2009 and 2008 ( CAT )
- IQTCUB Equity Plan
- XRQTC disseminating video
  You are welcome to see this video elaborated by XRQTC.This is a project done with the support of Direccio General de Recerca de la Generalitat de Catalunya through AGAUR. Authors: Xavier Gimenez (UB), Lourdes Vega (Matgas), Jean Didier Marechal (UAB).
- Contact IQTC
Research
The IQTC is working in three main Research Areas and publishes 150 articles in the most prestigious international Journals
- Research Areas
- Computational Resources
- Publications
- Highlights
- Software development
- Staff Directory
  Staff Directory
- Article Covers
- Postdocs and PhDs
- Technology Transfer
Education & Outreach
The IQTC contributes to initiate chemistry undergraduate students to the discipline or to improve previous knowledge in Computational Chemistry
Open Positions
The IQTC work in the Promotion and encouragement of research and helps young students initiate a Scientific Career
News & Events
Check out the latest news and the updated Agenda of the IQTC
- IQTC Calendar

October 2024
IQTC Seminar: Emanuele Telari

October 17, 2024 @ 11:00 am - 12:00 pm
IQTC Meeting 2024

October 30, 2024 @ 11:30 am - 5:00 pm
IQTC Meeting 2024

October 31, 2024 @ 10:00 am - 3:00 pm
November 2024
IQTC Seminar: Prof. Dario Estrin (Student’s Host)

November 12, 2024 @ 12:00 pm - 1:00 pm
February 2025
IQTC Seminar: Nicoletta Liguori, Gemma Llauradó and Mireia Gómez

February 11, 2025 @ 11:00 am - 1:00 pm
March 2026
IQTC Seminar: Prof. Carlos Untiedt

March 12 @ 12:00 pm - 1:00 pm
April 2026
IQTC Seminar: Dr. Pablo Garrido-Barros

April 16 @ 12:00 pm - 1:00 pm

Proton-electron synergy as a driving force in catalytic processes
September 2026
IQTC Seminar: Dr. Jesús Barrio-Hermida

September 8 @ 8:00 am - 12:00 pm

Magnesium-mediated synthesis of mesoporous FeNC fuel cell catalysts enabled by a zinc adeninate framework
IQTC Seminar: Dr. Antonietta de Sio

September 22 @ 12:00 pm - 1:00 pm

Revealing vibronic coupling in the ultrafast dynamics of photoexcited materials for optoelectronics andsolar energy conversion Dr. Antonietta de Sio is a researcher of the Universitat Oldenburg doing a research stay at ICFO; Clàudia Climent has invited her to visit IQTCUB.
IQTC Seminar: Dr. Keisuke Watanabe

September 30 @ 8:00 am - 5:00 pm

IQTC Seminar by Dr. Keisuke Watanabe on Thermal Memory and Order in Liquids Next Thursday, October 8th at 12:00 p.m., Aula Magna Enric Casassas will host a scientific lecture focusing on liquid dynamics, thermal history, and hidden order in materials. The talk, entitled “Do Liquids Remember? Thermal History, Metastability, and Hidden Order from Water to […]
October 2026
IQTC Seminar: Prof. George Christou

October 9 @ 12:00 pm - 1:00 pm

A wonderful journey in magnetic molecules: from bioinorganic chemistry, to single-molecule magnets, to qubits, and beyond…
IQTC Seminar: Prof. Yan Xu

October 15 @ 12:00 pm - 1:00 pm

Pioneering Nanofluidics: New Frontiers in Chemistry, Biology, Materials Science, and Molecular Flow Engineering

Events

October 2024

November 2024

February 2025

March 2026

April 2026

September 2026

October 2026