Institute of Structure of Matter

Efficient Nonequilibrium Electron Dynamics from First-Principles: Leveraging Koopmans Spectral Functionals and Wannier Localization

Abstract We present an efficient first-principles approach for simulating the nonequilibrium electron dynamics in extended systems beyond the linear regime. The method combines Koopmans-compliant functionals, which provide accurate quasiparticle band structures, with the real-tim...

Eco-friendly One-Pot Synthesis of Oxamide

Abstract A novel, eco-friendly one-pot synthesis of oxamide was developed using nontoxic starting materials, offering a safer alternative to traditional methods. The procedure yields a highly pure oxamide precipitate within 2 days. By optimizing key reaction parameters including...

Extratropical teleconnections in a multi-model ensemble nudged towards the observed QBO

The Quasi-Biennial Oscillation (QBO), the dominant mode of interannual variability of monthly-mean zonal winds and temperatures in the equatorial stratosphere, has a significant influence on the circulation in other regions of the stratosphere and troposphere in boreal winter. To...

MSP4BIO Deliverable 3.4: Ecological toolkit (ESE1) for MPAs prioritization and networking

The Ecological Toolkit (ESE1) was developed to support the design, establishment and management of Marine Protected Areas (MPAs) by improving decision-making processes, focusing on prioritisation of areas, integration of connectivity processes and assessment of human impacts on m...

MSP4BIO Deliverable 3.4: Ecological toolkit (ESE1) for MPAs prioritization and networking

The Ecological Toolkit (ESE1) was developed to support the design, establishment and management of Marine Protected Areas (MPAs) by improving decision-making processes, focusing on prioritisation of areas, integration of connectivity processes and assessment of human impacts on m...

Measuring Ocean Surface Waves

Abstract Propagating waves on the ocean surface can be represented as a stochastic process whose statistics are characterized by a spectrum. This paper reviews methods for measuring the wave spectrum and related quantities. Observations begin by sensing fluid dynamical properties...

Does an Unconventional Source with a High Silica Content (Obsidian) or a High Alumina Content (Bauxite) Affect the Type of Potassium Zeolite Formation? Preliminary Data on Synthetic Products’ Efficiency in Ammonium Removal

In this paper, obsidian (OS) and bauxite (BX) are used to synthesize zeolites via KOH prefusion, followed by a conventional hydrothermal process (HY) or an unconventional vapor-phase crystallization method (VPC) at 90 °C. The results indicate that, due to their chemical and miner...

Tunable Oxygen Connectivity in Carbaporphyrinoid Polymers on Metal Surfaces

ABSTRACT Controlling oxygen‐mediated connectivity at metal surfaces offers a powerful route to engineer covalent and metal–organic architectures with atomic precision. Here, we demonstrate tunable oxygen‐based connectivity in carbaporphyrinoid polymers on Au(111) under ultrahigh...