Education & Outreach

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  • Posters IQTC Meeting 2023

    28 FRANCISCO GÓMEZ Theoretical Studies of Copper-Catalyzed Suzuki-Miyaura Cross-Coupling 29 NATÀLIA DE MOYA Identifying new compounds for the selective activation of the Bax protein 30 IRENE CUXART Modeling Bifidobacterium bifidum’s lacto-N-biosidase by means of Molecular Dynamics 31 MARC ALSINA Time optimal control of molecular spin qudits 1 2 3

    Posters IQTC Meeting 2023

    13 FRANCISCO JAVIER HERMOSO Computer-aided drug design of hemagglutinin fusion peptide inhibitors 14 GENÍS LLEOPART How graphenic are graphynes? Evidence for low-lying correlated gapped states in graphynes 15 Mª NURIA PERALTA A step forward in Drug Design: Applying Markov State Models with Fragment dissolved Molecular Dynamics 16 MAURICIO REGALADO Spintronic devices based on hofmann-type clathrate […]

    Posters IQTC Meeting 2023

    1 ANDREU AVEL·LI Global optimization and thermodynamic phase diagrams of IryOx particles 2 RICCARDO FARRIS The NanoParticleLibrary: a python package for computational studies of nanoalloys 3 JON E. QUINLIVAN Development of a grand canonical avolutionary algorithm 4 DIEGO ONTIVEROS MXenes as Photocatalytic Materials for Water Splitting 5 RAMÓN SANTIAGO HERRERA Artificial blood clots fabrication in […]


    PROGRAM Tuesday 19th 13:00-15:00 Networking Lunch 15:00-15:15 Welcome by Eliseo Ruiz 15:15-16:15 Talk by David Glowacki“Interactive molecular dynamics in virtual reality using real-time cloud computing“ 16:15-17:15 Talk by Martina Maritan, Ph.D. (Nanome)“A virtual and mixed reality platform for molecular design & drug discovery“ 17:15-17:45 Coffee Break 17:45-18:45 Talk by Chido Mpamhanga, Ph.D. (Nanome)“How Nanome found […]


    The revolution Virtual Reality has brought to Computational Chemistry. REGISTRATION PROGRAM Augmented reality and virtual reality are very useful tools in the chemical world because they allow to explore the atomic and molecular environment in an inmersive way. In the last years, thanks to the technical advances and the computing power of the newer computers, […]

    IQTC Meeting 2022

    We are glad to announce that the IQTC Meeting will take place on Tuesday 19th and Wednesday 20th July 2022 of Universitat de Barcelona. The event allows the IQTC members to share the findings obtained from their research. The aim of the event is to broaden the views on topics of interest to the community. […]

    New Trends in Computational Chemistry – ed. 2022

    Introducing the Quantum Revolution in Chemistry High-Performance Computing Registration Program Computational and theoretical chemistry provides with quantitative and qualitative insights into a wide range of technologically relevant chemical and physical processes.  This ever-growing field will soon benefit from the advent of Quantum Computers as a source of new computational methodologies and software applications. These novel […]

    IQTC Seminar: Benedetta Menucci

    Transfer Technology Process at the UB

    The IQTC organizes a virtual seminar on basic knowledge in research transfer of technology, with the collaboration of the Fundació Bosch i Gimpera.The webinar will take place on April 9th 2021 at 11:30 on the ZOOM platform at the following VIRTUAL ROOM and it will cover three fundamental aspects of the transfer technology process: the […]

    Conferences & Symposium

        New Trends in Virtual Reality in Chemistry 2023     IQTC / QTMC Meeting 2023 PAST EDITIONS 2022     New Trends in Quantum Computing Chemistry 2022     IQTC Meeting 2022     Allosterism & Drug Discovery Conference PAST EDITIONS 2021     New Trends in Computational Chemistry 2021     IQTC […]