The design and discovery of potential novel materials is critical for the advancement of climate change mitigation technologies. In this respect, metal-organic frameworks (MOFs) have received considerable attention over the last two decades. The combinatio ...
Hydropower has a long tradition in Europe and contributed significantly during the last century to industrial development and welfare in most of the countries in Europe. The ambitious plan for an energy transition in Europe now seeks to achieve a lowcarbon ...
Computational chemistry aims to simulate reactions and molecular properties at the atomic scale, advancing the design of novel compounds and materials with economic, environmental, and societal implications. However, the field relies on approximate quantum ...
Photochemistry is a discipline that studies the interaction between light and matter with the scope to induce chemical transformations. The first conjugation between light and chemistry can be dated back to the lifespan of Giacomo Luigi Ciamician, who is c ...
The current global energy landscape is characterized by an increasing demand for affordable and sustainable energy sources, leading to an ever increasing integration of intermittent renewable energy resources into the grid. The intermittent nature of these ...
The process synthesis and optimization methods used in this work include simulation of biomass gasification, hydrogen and synthetic natural gas production, and jet fuel production via a Fisher Tropsch unit. An energy integration approach, carried out by th ...
The transition towards renewable energy is leading to an important strain on the energy grids. The question of designing and deploying renewable energy technologies in symbiosis with existing grids and infrastructure is arising. While current energy system ...
A shift from fossil-based energy and products to more sustainable alternatives is essential to reduce greenhouse gas emissions and associated climate change impacts. Biomass represents a promising alternative for providing fuels and carbon-based products w ...
Molecular machines offer many opportunities for the development of responsive materials and introduce autono-mous motion in molecular systems. While basic molecular switches and motors carry out one type of motion upon being exposed to an external stimulus ...
Biorefineries hold the potential to provide products and energy carriers at reduced environmental impact compared to their fossil-based counterparts. Thus, they can contribute to the decarbonization of sectors in which electrification of demands is challen ...
The electronic density of states (DOS) quantifies the distribution of the energy levels that can be occupied by electrons in a quasiparticle picture and is central to modern electronic structure theory. It also underpins the computation and interpretation ...
