Background and activities
Scientific, academic and artistic work
A selection of recent journal publications, artistic productions, books, including book and report excerpts. See all publications in the database
- (2018) Degradation of the chemotherapy drug 5-fluorouracil on medical-grade silver surfaces. Applied Surface Science. vol. 435.
- (2018) Temperature anisotropy at equilibrium reveals nonlocal entropic contributions to interfacial properties. Physical review. E. vol. 97.
- (2017) Selective dissolution of woody biomass under hydrothermal conditions. Energy Procedia. vol. 142.
- (2017) Correlation between the porosity of γ-Al2O3 and the performance of CuO–ZnO–Al2O3 catalysts for CO2 hydrogenation into methanol. Reaction Kinetics, Mechanisms and Catalysis.
- (2017) Geometrical flexibility of platinum nanoclusters: impacts on catalytic decomposition of ethylene glycol. Physical Chemistry, Chemical Physics - PCCP. vol. 19 (42).
- (2017) Rare event simulations reveal subtle key steps in aqueous silicate condensation. Physical Chemistry, Chemical Physics - PCCP. vol. 19 (20).
- (2017) CFD pre-study of Nozzle reactor for fast hydrothermal liquefaction. Energy Procedia. vol. 142.
- (2017) Thermodynamic Properties of Hydrogen Dissociation Reaction from the Small System Method and Reactive Force Field ReaxFF. Chemical Physics Letters. vol. 672.
- (2016) Chemically accurate energy barriers of small gas molecules in through hexagonal water rings. Physical Chemistry, Chemical Physics - PCCP. vol. 18.
- (2016) Heat transport through a solid-solid junction: the interface as an autonomous thermodynamic system. Physical Chemistry, Chemical Physics - PCCP. vol. 18 (20).
- (2016) Mechanism of Initial Step of Germanosilicate Formation in Solution: a first-principles molecular dynamics study. Physical Chemistry, Chemical Physics - PCCP. vol. 18.
- (2016) The mechanism of the initial step of germanosilicate formation in solution: A first-principles molecular dynamics study. Physical Chemistry, Chemical Physics - PCCP. vol. 18 (21).
- (2016) A molecular dynamics simulation study on seperation selectivity of CO2/CH4 mixture in mesoporous carbon. Energy Procedia. vol. 86.
- (2016) Coherent description of transport across the water interface: From nanodroplets to climate models. Physical review. E. vol. 39.
- (2015) Effects of Wet Torrefaction on Pyrolysis of Woody Biomass Fuels. Energy. vol. 88.
- (2015) Finite-size and truncation effects for microscopic expressions for the temperature at equilibrium and nonequilibrium. Journal of Chemical Physics. vol. 143 (11).
- (2015) Graphene coatings for chemotherapy: avoiding silver-mediated degradation. 2D Materials. vol. 2 (2).
- (2015) Density Functional Theory Study on the Interactions of Metal Ions with Long Chain Deprotonated Carboxylic Acids. Journal of Physical Chemistry A. vol. 119 (40).
- (2015) Ab Initio Molecular Dynamics Study on the Interactions between Carboxylate Ions and Metal Ions in Water. Journal of Physical Chemistry B. vol. 119 (33).
- (2015) A test on reactive force fields for the study of silica dimerization reactions. Journal of Chemical Physics. vol. 143:184113 (18).