The resolution revolution has increasingly enabled single-particle cryo-EM reconstructions of previously inaccessible systems, including large membrane protein complexes that constitute a disproportionate share of drug targets.
Design of New Bimetallic Alloys with Catalytic Activity for the Oxygen Reduction Reaction through Elastic Strain Engineering using First Principles Calculations
The objective of this project is to design bimetallic alloys capable to act as catalysts for the Hydrogen Evolution and Oxygen Reduction Reactions (HER and ORR, respectively) by means of the application of elastic strain engineering.
We plan to study point-defects in low-dimensional systems for the design and control of solid-state spin-defects for quantum technologies.
The primary aim of this project is to develop large-scale brain-like machine learning algorithms.
DNROM - Defect-induced fingerprints in Nb-doped TiO2 Rutile Optical spectra within a Many-body perturbation theory formalism
The design of novel photocatalytic and photovoltaic devices requires an in-depth understanding of the microscopic physical mechanisms governing the light-matter interaction.
We investigate the effectiveness of wall-manipulation strategies based on the use of “spanwise traveling waves” in the high Reynolds number regime.
Addition of polymers to single-phase turbulent flows leads to a significant drag reduction. Based on the percentage of achieved drag reduction (DR) in the flow, the viscoelastic flows are categorized as low drag reduction (LDR) and high drag reduction (HDR) regimes.
Hydrophobic gating occurs when the ionic current flowing through a nanopore is hindered by the reversible formation of a vapour bubble inside the pore.
We propose to run first-of-a-kind simulations of the embedded phase of star formation, covering the crucial time when protoplanetary disks are formed.
This proposal aims to unveil still debated properties of cosmic ray transport in the Universe.