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Predicting challenging phase transitions with Bayesian active learning
<p>Materials underpin modern technologies, from energy harvesting, storage, and conversion to information and communication technologies. Their functionality is often... -
Discovery of thermochemical energy storage materials via a hybrid data-mining...
<p>A key technical challenge inhibiting fossil-free energy generation, which is especially pronounced in solar plants, is the inherent intermittency. Since... -
Interfacial Thermodynamics of Coexisting Aqueous Polymer Solutions
This dataset belongs to the PhD thesis of Mark Vis, "Interfacial Thermodynamics of Coexisting Aqueous Polymer Solutions" (Utrecht University, 2015). This dataset contains... -
Dataset for "stability, metastability, and exfoliability of MAX phases and t...
This dataset contains the computational research data underlying the doctoral thesis "Stability, metastability, exfoliability of MAX phases and their 2D MXene derivatives:... -
Ruthenium Nanoparticles on Water-Stable Supported Ionic Liquid Phases as Cata...
The first example of a hydrothermally stable Supported Ionic Liquid Phase (SILP) material was designed and used successfully as support for Ruthenium nanoparticles (Ru NPs) in... -
Stabilization of oxygen vacancy ordering and electrochemical-proton-insertion...
Promoting hydrogen (H) insertion into and extraction from metal oxides plays a crucial role in tuning their properties. In our recent work, we found that the oxygen vacancy... -
Dispersion-Driven Formation of Chiral Twisted PAH Double Helices [Data]
Molecular double helices are ubiquitous in nature and have also been generated artificially. These are usually based on helical ribbons. Here, a new type of double helices based... -
Structure and thermodynamics of polyethylene glycol chusions
A long term goal for biophysical studies has been to fabricate bio-membranes on solid supports. A highly hydrated ¿cushion¿ between the membrane and the underlying support can... -
Sulfathiazole polymorph thermodynamics
Polymorphism is a major problem in the pharmaceutical industry and also a conceptual bottleneck in the conversion of useful molecular properties into useful materials... -
What limits photosynthesis? Supplemental Material
This collection contains files associated with the publication "What limits photosynthesis? Identifying the thermodynamic constraints of the terrestrial biosphere within the... -
Dispersion-Driven Formation of Chiral Twisted PAH Double Helices [Data]
Molecular double helices are ubiquitous in nature and have also been generated artificially. These are usually based on helical ribbons. Here, a new type of double helices based... -
Dataset: Viskositet för aluminiumoxid-dopade soda kalk silikatglas
Adding alumina to the conventional soda lime silicate glass composition improves many properties, however, also increases the viscosity. Alumina doping of soda lime silicate... -
Dataset: Viskositetseffekt av TiO2 på soda kalk silikat glas
As TiO2 is replacing SiO2 it has a slight suppressing effect on the viscosity until the limit when Na2O/TiO2 ratio is less than 2, indicating a transformation of the structure... -
Interfacial Thermodynamics of Coexisting Aqueous Polymer Solutions
This dataset belongs to the PhD thesis of Mark Vis, "Interfacial Thermodynamics of Coexisting Aqueous Polymer Solutions" (Utrecht University, 2015). This dataset contains... -
REACTION molecule data:C0H0
REACTION molecular data: Simple molecular information for species with no carbons -
What limits photosynthesis? Supplemental Material
This collection contains files associated with the publication "What limits photosynthesis? Identifying the thermodynamic constraints of the terrestrial biosphere within the...
