Author archives: TCCM

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European Joint Doctorate on Theoretical Chemistry and Chemistry Modelling (ITN-EJD-TCCM). The objective of the doctorate is to prepare authentic research leaders, who should not only be able to develop and use multidisciplinary computational techniques (methods and software), but also solid communication skills.

Ab initio modeling the chemical storage of alternative energy

Ab initio modeling the chemical storage of alternative energy

ChemistryEnergyMaterials

By TCCM

Author: Carles Martí is a Ph.D. student (ITN-EJD-TCCM) at University of Perugia Nowadays, mostly everybody has heard about global warming, a problem that humanity faces and that can drastically change our climate in the upcoming years. This is caused by the, also well known, greenhouse effect, produced by the gases our modern society generates, to […]

Hydrogen gas as alternative fuel

Hydrogen gas as alternative fuel

ChemistryMaterialsTCCM

By TCCM

Author: Jelle Vekeman is a Ph.D. student (ITN-EJD-TCCM) at Universitat de València For a long time now, we have mainly been using fossil fuels to satisfy our increasing needs for energy. Resources, however, are limited and waste products destructive for the environment. As researchers and companies are exploring alternatives, hydrogen gas (H2) seems a promising […]

What is photodynamic therapy? Insights from computational chemistry

What is photodynamic therapy? Insights from computational chemistry

ChemistryMedicineTCCM

By TCCM

Author: Martina De Vetta is a Ph.D. student (ITN-EJD-TCCM) at Universidad Autónoma de Madrid The increasing number of types and subtypes of cancer and their incidence have triggered research to develop more selective alternative and less painful treatments compared to conventional therapies. Photodynamic therapy (PDT) is an innovative treatment against certain types of cancer and […]

Ruthenium nitrosyl complexes: a useful kind of molecular photoswitches

Ruthenium nitrosyl complexes: a useful kind of molecular photoswitches

ChemistryMaterialsTCCM

By TCCM

Author: Francesco Talotta is a Ph.D. student (ITN-EJD-TCCM) at Université Toulouse III A molecular switch consists in a molecular device able to change its physical or chemical properties (as its color for example) in a well definite way. In the best cases changing can be fully controlled, normally by an external chemical or physical factor […]

The Dark Side of Al(III) Chelation Therapy:  A New Computational Hope

The Dark Side of Al(III) Chelation Therapy: A New Computational Hope

ChemistryPharmacyTCCM

By TCCM

Author: Gabriele Dalla Torre is a Ph.D. student (ITN-EJD-TCCM) at UPV/EHU Aluminum is the third most abundant element in Earth’s crust, after oxygen and silicon. As a consequence, during the last century, human intervention has made aluminum so highly bioavailable that C. Exley, one of the leading researcher on Al(III) biochemistry, stated that we are […]

Looking for new materials with applications in organic solar cells

Looking for new materials with applications in organic solar cells

ChemistryMaterialsTCCM

By TCCM

Author: María A. Izquierdo-Morelos is a Ph.D. student (ITN-EJD-TCCM) at University of Groningen Over the past several decades researchers have thought how materials and device architectures can efficiently convert solar radiation into electrical power through the photovoltaic effect. Those efforts have led to different methods and processes to produce green energy. In this context, organic […]

Novel sources of clean energy: Where functional polynitrogen materials meet society’s needs.

Novel sources of clean energy: Where functional polynitrogen materials meet society’s needs.

ChemistryMaterialsTCCM

By TCCM

Author: Stefano Battaglia is a Ph.D. student (ITN-EJD-TCCM) at Université de Toulouse III Since the Nobel Prize in Physics was awarded in 2010 to Andre Geim and Konstantin Novoselov for groundbreaking discoveries on the two-dimensional material graphene, the research in low-dimensional carbon nanostructures has seen an incredible increase of interest. Among the different types of […]