85 citations · 168 across the 3 of their papers we have counts for
10 papers
Formation of the interstellar sugar precursor, (Z)-1,2-ethenediol, through radical reactions on dust grains
Juan Carlos del Valle, Pilar Redondo, Johannes Kästner +1
In recent years, the continued detection of complex organic molecules of prebiotic interest has refueled the interest on a panspermic origin of life. The prebiotic molecule glycera…
ZnTrack -- Data as Code
Fabian Zills, Moritz Schäfer, Samuel Tovey +2
The past decade has seen tremendous breakthroughs in computation and there is no indication that this will slow any time soon. Machine learning, large-scale computing resources, an…
Processing of hydroxylamine, NH2OH, an important prebiotic precursor, on interstellar ices
Gerán Molpeceres, Víctor. M. Rivilla, Kenji Furuya +3
Hydroxylamine, NH2OH, is one of the already detected interstellar molecules with the highest prebiotic potential. Yet, the abundance of this molecule found by astronomical observat…
Reaction dynamics on amorphous solid water surfaces using interatomic machine learned potentials. Microscopic energy partition revealed from the P + H -> PH reaction
Germán Molpeceres, Viktor Zaverkin, Kenji Furuya +2
Energy redistribution after a chemical reaction is one of the few mechanisms to explain the diffusion and desorption of molecules which require more energy than the thermal energy…
Transfer learning for chemically accurate interatomic neural network potentials
Viktor Zaverkin, David Holzmüller, Luca Bonfirraro +1
Developing machine learning-based interatomic potentials from ab-initio electronic structure methods remains a challenging task for computational chemistry and materials science. T…
Influence of Layer Slipping on Adsorption of Light Gases in Covalent Organic Frameworks: A Combined Experimental and Computational Study
Christopher Kessler, Robin Schuldt, Sebastian Emmerling +4
Sorption of gases in micro- and mesoporous materials is typically interpreted on the basis of idealized structural models where real structure effects such as defects and disorder…