Education & Outreach

Computational Modelling: from Molecules to Materials 2024

AN COURSE IN COMPUTATIONAL CHEMISTRY  The main goal of this course is to initiate science undergraduate students in the possibilities of Computational Chemistry. The course takes place for a whole week, from February 12th through 16th, and is mainly addressed to Chemistry, Biology, Pharmacy and Chemical Engineering students, which have preferably already attended the Physical Chemistry […]

Molecular Modelling: biomolecules and drug design 2024

A COURSE IN COMPUTATIONAL CHEMISTRY The course is intended to broaden the vision of the potentials of computing in the research and development of new drugs, new materials or new compounds.The course takes place for a whole week, from February 6th through 9th, and is mainly addressed to Chemistry, Biology, Pharmacy and Chemical Engineering students.  […]

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 […]

NEW TRENDS IN VIRTUAL REALITY IN CHEMISTRY 2023

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 […]

NEW TRENDS IN VIRTUAL REALITY IN CHEMISTRY 2023

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, […]

Molecular Modelling: biomolecules and drug design 2023

A COURSE IN COMPUTATIONAL CHEMISTRY The course is intended to broaden the vision of the potentials of computing in the research and development of new drugs, new materials or new compounds.The course takes place for a whole week and is mainly addressed to Chemistry, Biology, Pharmacy and Chemical Engineering students.  Organizers: Prof. Sergio Madurga and […]

Computational Modelling: from Molecules to Materials 2023

AN COURSE IN COMPUTATIONAL CHEMISTRY  The main goal of this course is to initiate science undergraduate students in the possibilities of Computational Chemistry. The course takes place for a whole week and is mainly addressed to Chemistry, Biology, Pharmacy and Chemical Engineering students, which have preferably already attended the Physical Chemistry (II) Course, according to the […]

Fellowships

Grants to start the research with the IQTC MODALITIES A and B A) Master’s degree Grant The 2023 call for A fellowships (Master+UB) is now open, from November 22nd to December 11th 2023.  More information at https://seu.ub.edu/ajutsPublic/showPublicacion/464604 2024 call is expected to be open in October 2024. B) Postmaster Grant The IQTC offers grants for students […]