20 citations · 83 across the 15 of their papers we have counts for
15 papers
Nudged Elastic Band Method in the CRYSTAL code. Theory and Applications
Andreha Gelli, Silvia Casassa, Albert Rimola +1
The nudged elastic band (NEB) method is a widely used algorithm for determining minimum energy paths and transition states in chemical reactions and phase transitions. In this work…
When Two Worlds Collide: How Collisions Between Silicate and Carbonaceous Nanograins can Drive Complex Chemistry
Alexandros Kyriazis, Albert Rimola, Stefan T. Bromley
Our overall objective is to determine how collision velocity governs the interactions between silicate and carbonaceous nanograins. We aim to: i) identify collisional regimes capab…
Is cosmic dust porous?
Alexey Potapov, Martin R. S. McCoustra, Ryo Tazaki +4
There is a long-standing discussion in the astrophysical/astrochemical community as to the structure and morphology of dust grains in various astrophysical environments (e.g., inte…
The role of the pre-exponential factor on temperature programmed desorption spectra: A computational study of frozen species on interstellar icy grain mantles
S. Pantaleone, L. Tinacci, V. Bariosco +3
Temperature programmed desorption (TPD) is a well-known technique to study gas-surface processes, and it is characterized by two main quantities: the adsorbate binding energy and t…
Formation of the glycine isomer glycolamide (NHC(O)CHOH) on the surfaces of interstellar ice grains: Insights from atomistic simulations
Jessica Perrero, Silvia Alessandrini, Hexu Ye +2
Syn-glycolamide, a glycine isomer, has recently been detected in the G+0.693-0.027 molecular cloud. Investigations on its formation in the interstellar medium could offer insights…
Atomistic insights on prebiotic phosphorylation of methanol from Schreibersite (Fe2NiP) corrosion: ab-initio computational study
Stefano Pantaleone, Giulia De Gasperis, Marta Corno +3
The prebiotic history of phosphorus is a matter of debate in the scientific community: its origin, how it landed on Earth, the selective speciation of the phosphate, and its inclus…
The prebiotic pathway from P-bearing iron meteorites to phosphates by DFT modeling
Stefano Pantaleone, Marta Corno, Albert Rimola +2
Among the biogenic macroelements, phosphorus is the one bringing the most fascinating and unsolved mysteries for what concern its prebiotic history. It possibly landed on Earth as…
Evidence for Jet/Outflow Shocks Heating the Environment Around the Class I Protostellar Source Elias 29: FAUST XXI
Yoko Oya, Eri Saiga, Anna Miotello +1
We have observed the late Class I protostellar source Elias~29 at a spatial-resolution of 70~au with the Atacama~Large~Millimeter/submillimeter~Array (ALMA) as part of the FAUST La…
Reactivity of chondritic meteorites under H2-rich atmospheres: Formation of H2S
V. Cabedo, G. Pareras, J. Allitt +4
Current models of chemical evolution during star and planetary formation rely on the presence of dust grains to act as a third body. However, they generally ignore the reactivity o…
Unraveling the Interface Chemistry between HCN and Cosmic Silicates by the Interplay of Infrared Spectroscopy and Quantum Chemical Modeling
Niccolò Bancone, Rosangela Santalucia, Stefano Pantaleone +4
Understanding the interaction between hydrogen cyanide (HCN) and silicate surfaces is crucial for elucidating the prebiotic processes occurring on interstellar grain cores, as well…
Delivery of DART Impact Ejecta to Mars and Earth: Opportunity for Meteor Observations
Eloy Peña-Asensio, Michael Küppers, Josep M. Trigo-Rodríguez +1
NASA's DART and ESA's Hera missions offer a unique opportunity to investigate the delivery of impact ejecta to other celestial bodies. We performed ejecta dynamical simulations usi…
Mechanical Properties of Minerals in Lunar and HED Meteorites from Nanoindentation Testing: Implications for Space Mining
Eloy Peña-Asensio, Josep M. Trigo. Rodríguez, Jordi Sort +2
This study analyzes the mechanical and elemental properties of lunar meteorites DHOFAR 1084, JAH 838, NWA 11444, and HED meteorite NWA 6013. Utilizing microscale rock mechanics exp…
Single-atom catalysis in space: Computational exploration of Fischer Tropsch reactions in astrophysical environments
Gerard Pareras, Victoria Cabedo, Martin McCoustra +1
Gas-phase chemistry at extreme conditions (low densities and temperatures) is difficult, so the presence of interstellar grains is especially important for the synthesis of molecul…
Oort cloud perturbations as a source of hyperbolic Earth impactors
Eloy Peña-Asensio, Jaakko Visuri, Josep M. Trigo-Rodríguez +4
The observation of interstellar objects 1I/'Oumuamua and 2I/Borisov suggests the existence of a larger population of smaller projectiles that impact our planet with unbound orbits.…
Deep machine learning for meteor monitoring: advances with transfer learning and gradient-weighted class activation mapping
Eloy Peña-Asensio, Josep M. Trigo-Rodríguez, Pau Grèbol-Tomàs +2
In recent decades, the use of optical detection systems for meteor studies has increased dramatically, resulting in huge amounts of data being analyzed. Automated meteor detection…