Curriculum Vitae
Education
February 2006 - PhD in Chemistry/Physical-Chemistry (IST, Lisbon)
"Planetary Applications of Thermodynamics", Prof. Jorge C.G. Calado
The research project, developed in collaboration with the Department of Earth & Planetary Sciences (Planetary Chemistry Laboratory) of the Washington University in St. Louis, focused upon areas particularly relevant to thermodynamics and planetary sciences.
- Molecular energetics: Preparation of calcium phosphates (apatites) following hydrothermal, solid-solid, and solid-gas synthetic routes, under moderate to high temperature conditions. Solution-reaction calorimetry, using an isoperibol calorimeter, to determine calcium apatites’ standard enthalpies of formation. Determination of lattice enthalpies to predict the solids’ stability.
- Classical Molecular Dynamics: Influence of the structural characteristics of the crystal lattice in the solids’ thermodynamic behaviour and estimation of the relevant thermodynamic properties (Hm, Cp, αp, kT) of complex ionic solids using an all-atom force field and a Born-Huggins-Mayer type intermolecular potential. Study of the solids’ behaviour under compression and/or expansion conditions to calibrate a universal equation of state for condensed phases.
June 2000 - University Diploma in Chemical Engineering (IST, Lisbon).
March 1998 - Spring course of “Polymeric Materials and its Applications”, Prof. Maria Helena Gil (University of Coimbra, Coimbra).
August 1996 - Summer Course of “Thermodynamics, Art and Society”, Prof. Jorge Calado (IST, Lisbon).
June 1994 - Completes his High School Studies (Esc. Sec. Santo Andre, Barreiro).
Scientific Work
Dec 2018 - : Researcher (Lisbon NOVA University, Portugal)
Oct 2008 - Dec 2018: Post-Doc Research Associate (Lisbon NOVA University, Portugal)
Molecular thermodynamics and statistical mechanics of fluids confined onto nanoscopic solids.
Oct 2010 - Sep 2011 : Honorary Fellow (Univ. Wisconsin-Madison, USA)
Rare-events statistical mechanics techniques to probe the encapsulation of small DNA duplexes and nucleobases.
Mar 2006 - Mar 2008 : Post-Doc Research Associate (Imperial College London, UK)
Molecular modelling of the equilibrium and transport properties of organic fluids confined onto individual single-walled carbon nanotubes and bundles.
June 2007 - Sept 2008 : Visiting Researcher (Lisbon NOVA University, Portugal)
Molecular modelling and experimental measurements of the adsorption properties of carbon nanotubes towards low weight alkanes and olefins.
Jan 2003 - Feb 2003 : Visiting researcher (Ruhr-Universität Bochum, Germany)
High-temperature synthesis of calcium phosphates by solid/solid and solid/gas reactions and structural characterization techniques (XRD, FTIR, SEM and EDX).
Research Interests
Molecular thermodynamics and statistical mechanics of soft matter confined onto nanoscopic solids, where experimental studies are very difficult to perform; especially when many combining effects come into interplay, such as pore size, shape and distribution, chemical nature of the surfaces and their homogeneity (or lack thereof). Using computer simulation techniques and enhanced sampling algorithms, the exo- and endohedral adsorption and diffusive behaviours of fluids are studied. The work focuses on the thermodynamics and kinetics of biological building blocks (nucleobases, DNA strands) and light organics (C1 − C3) that are exposed to nanoenvironments, such as a carbon nanotube/graphene sheets or a metal organic framework; while the former show promising applications in the context of bio- and nanotechnology, the latter are crucial in the chemical engineering industries.
The relationship between molecular structure and thermodynamical properties is also a thrust of interest, in the area of clathrate hydrates (CH4, CO2) and ionic inorganics prepared at high temperatures (apatites) with biological and industrial (oil and gas industries, bio-materials) interest. Those compounds are key elements in the fundamental understanding of solid/solid solutions, namely those occurring in the permafrost regions and in some astral bodies (moons and meteorites); the relevant thermodynamical properties have been determined and used to calibrate a universal equation of state (EoS) for condensed phases.
Extracurricular Activities
April 1999 : Curator of the fine arts exhibition “Portuguese new visions”.(Faculty of Fine Arts, University of Lisbon)
November 1998 : General Secretary of the “V Presidents’ Meeting” of BEST International (Torino, Italy).