AR
Albert Rimola
astro-ph.GAastro-ph.EPastro-ph.SRphysics.chem-phprebiotic chemistryastrochemistryModels, MolecularQuantum Theorycond-mat.mtrl-sciModels, Chemical
On Valency
published · living versionsW_k39r75yp·v1 · currentpublished
FAUST XXXII. Chemically layered structures and ionisation in the disk and envelope of NGC 1333 IRAS 4C
with Shota Notsu, Nami Sakai, Yichen Zhang, Ana Lopez-Sepulcre +69
1 version
Preprints & journals
131 papers in the corpus · 2006–2026Can Defective Schreibersite Deliver Prebiotic Phosphorus?42769992 · Pantaleone, Stefano, Rimola, Albert, Balucani, Nadia et al.2026 · 0 citationsACS earth & space chemistry. 2026;10(9):2045-2052
Fate of hydrogen sulphide on refractory oxide nanoparticles via foundation model-accelerated atomistic modelling and in situ spectroscopy10.26434/chemrxiv.15006985/v1 · Eric Mates-Torres, Lorenzo Mino, Guillermo Escolano-Casado et al.2026 · 0 citationsChemRxiv
When Two Worlds Collide: How Collisions Between Silicate and Carbonaceous Nanograins can Drive Complex Chemistry2607.22213v1 · Alexandros Kyriazis, Albert Rimola, Stefan T. Bromley2026 · 0 citationsarXiv
Chemical Complexity in the Early Stages of Star Formation in the SKAO Era2606.27184v1 · Eleonora Bianchi, Mathilde Bouvier, Claudio Codella et al.2026 · 0 citationsarXiv
FAUST XXXI. Grain properties and variability of three sources in GSS 302606.22489v1 · Q. Yang, H. Baobab Liu, S. Feng et al.2026 · 0 citationsarXiv
Fizzy water ice in space: CO adsorption, binding energies and its fate in a protoplanetary disk2605.13308v1 · Alicja Bulik, V. Bariosco, E. Mates-Torres et al.2026 · 0 citationsarXiv
High-resolution mid-IR spectroscopy of SVS 13-A with EXES/SOFIA: The surprisingly high CHOH/HO ratio in the planet-forming zone of a solar mass protostar2603.19992v1 · Curtis DeWitt, Marta De Simone, Eleonora Bianchi et al.2026 · 0 citationsarXiv
Nudged elastic band method in the CRYSTAL code: Theory and Applications.41586555 · Gelli, Andreha, Casassa, Silvia, Rimola, Albert et al.2026 · 0 citationsThe Journal of chemical physics. 2026;164(4)
Low-energy glycine formation and spectral masking in star-forming regions.41491829 · Mates-Torres, Eric, Rimola, Albert2026 · 1 citationCommunications chemistry. 2026
A Fully ab Initio Kinetic Monte Carlo Approach for Modeling Adsorption and Diffusion in Interstellar Icy Grain Mantles: The Case of H2S.41561068 · Bariosco, Vittorio, Pantaleone, Stefano, Ceccarelli, Cecilia et al.2026 · 3 citationsACS earth & space chemistry. 2026;10(1):66-79
FAUST XXIX. OCS line emission: a new method for measuring the luminosity of embedded protostars in binary systems2512.04674v1 · Guillaume Saury, Vittorio Bariosco, Cecilia Ceccarelli et al.2025 · 2 citationsarXiv
Cosmic Silicate Surfaces Catalizing Prebiotic Reactions: Atomistic Modeling on the Polymerization of HCN.41293497 · Bancone, Niccolò, Pantaleone, Stefano, Pareras, Gerard et al.2025 · 1 citationACS earth & space chemistry. 2025;9(11):2567-2578
Atomistic Modeling of Methyl Formate and Glycolaldehyde Formation on Interstellar Dirty Ice Mantles via a "Radical + Ice" Mechanism.40970323 · Perrero, Jessica, Pantaleone, Stefano, Ugliengo, Piero et al.2026 · 2 citationsChemPlusChem. 2025;90(11):e202500324
Is cosmic dust porous?2509.10292v1 · Alexey Potapov, Martin R. S. McCoustra, Ryo Tazaki et al.2025 · 11 citationsarXiv
The role of the pre-exponential factor on temperature programmed desorption spectra: A computational study of frozen species on interstellar icy grain mantles.40736055 · Pantaleone, S, Tinacci, L, Bariosco, V et al.2025 · 2 citationsThe Journal of chemical physics. 2025;163(4)
Energy partitioning in H2 formation on interstellar carbonaceous grains. Insights from ab initio molecular dynamics simulations.40620133 · Jubert, Léana, Martínez-Bachs, Berta, Pareras, Gerard et al.2025 · 2 citationsPhysical chemistry chemical physics : PCCP. 2025;27(29):15385-15397
Mapping adsorption on ionic surfaces via a pairwise potential-based high-throughput approach.40765953 · Mates-Torres, Eric, Ugliengo, Piero, Rimola, Albert2025 · 1 citationJournal of applied crystallography. 2025;58(Pt 4):1462-1468
Theoretical study of the NaO + HCl reaction: a potential formation route of NaCl in the interstellar medium10.26434/chemrxiv-2025-d6t9b · Andrea Giustini, Gabriella Di Genova, Nadia Balucani et al.2025 · 0 citationsChemRxiv
Revealing SO2 and CO2 adsorption features on forsterite via IR spectroscopy and automated computational approaches.40488652 · Mates-Torres, Eric, Escolano Casado, Guillermo, Mino, Lorenzo et al.2025 · 4 citationsPhysical chemistry chemical physics : PCCP. 2025;27(24):13124-13134
Predicting accurate binding energies and vibrational spectroscopic features of interstellar icy species. A quantum mechanical study.40421516 · Bulik, Alicja, Martínez-Bachs, Berta, Bancone, Niccolò et al.2026 · 6 citationsPhysical chemistry chemical physics : PCCP. 2025;27(22):11907-11919
Comprehensive Atomistic Simulations of Fischer-Tropsch in Outer Space: Astrocatalysis by Fe13-Supported Nanoclusters on SiO2.40497144 · Pareras, Gerard, Cabedo, Victoria, McCoustra, Martin et al.2025 · 4 citationsThe journal of physical chemistry. C, Nanomaterials and interfaces. 2025;129(22):10069-10082
Formation of the glycine isomer glycolamide (NHC(O)CHOH) on the surfaces of interstellar ice grains: Insights from atomistic simulations2504.17372v1 · Jessica Perrero, Silvia Alessandrini, Hexu Ye et al.2025 · 6 citationsarXiv
Hot Sulfur on the Rocks: The Reaction of Electronically Excited Sulfur Atoms with Water in an Ice-Surface Model.40264811 · Di Genova, Gabriella, Perrero, Jessica, Rosi, Marzio et al.2025 · 6 citationsACS earth & space chemistry. 2025;9(4):844-855
Atomistic insights on prebiotic phosphorylation of methanol from Schreibersite (Fe2NiP) corrosion: ab-initio computational study2504.02850v1 · Stefano Pantaleone, Giulia De Gasperis, Marta Corno et al.2025 · 3 citationsarXiv
The prebiotic pathway from P-bearing iron meteorites to phosphates by DFT modeling2502.19235v1 · Stefano Pantaleone, Marta Corno, Albert Rimola et al.2025 · 2 citationsarXiv
Exploring Forsterite Surface Catalysis in HCN Polymerization: Computational Insights for Astrobiology and Prebiotic Chemistry.40008143 · Bancone, Niccolò, Pantaleone, Stefano, Ugliengo, Piero et al.2025 · 5 citationsACS earth & space chemistry. 2025;9(2):303-313
Reactivity of chondritic meteorites under H2-rich atmospheres: Formation of H2S2410.23012v1 · V. Cabedo, G. Pareras, J. Allitt et al.2024 · 4 citationsarXiv
Computationally aided design of defect-appended aliphatic amines for CO2 activation within UiO-66.39420808 · Pareras, Gerard, Rimola, Albert, Taddei, Marco et al.2024 · 3 citationsPhysical chemistry chemical physics : PCCP. 2024;26(42):26958-26965
Unraveling the Interface Chemistry between HCN and Cosmic Silicates by the Interplay of Infrared Spectroscopy and Quantum Chemical Modeling2409.08074v1 · Niccolo Bancone, Rosangela Santalucia, Stefano Pantaleone et al.2024 · 5 citationsarXiv
FAUST XIX. DCO in the outflow cavities of NGC\,1333 IRAS\,4A: recovering the physical structure of its original prestellar core2408.15517v1 · Layal Chahine, Cecilia Ceccarelli, Marta De Simone et al.2024 · 9 citationsarXiv
Binding Energies and Vibrational Spectral Features of S Species on Amorphous Water-ice Mantles: A Quantum Mechanical Study2408.02546v1 · Jessica Perrero, Leire Beitia-Antero, Asunci'on Fuente et al.2024 · 8 citationsApJ, 971, 36 (2024)
Delivery of DART Impact Ejecta to Mars and Earth: Opportunity for Meteor Observations2408.02836v2 · Eloy Pena-Asensio, Michael Kuppers, Josep M. Trigo-Rodr'iguez et al.2024 · 5 citationsarXiv
Formation of Methanol via Fischer-Tropsch Catalysis by Cosmic Iron Sulphide.38805153 · Martinez-Bachs, Berta, Anguera-Gonzalez, Alexia, Pareras, Gerard et al.2024 · 9 citationsChemphyschem : a European journal of chemical physics and physical chemistry. 2024;25(17):e202400272
FAUST XVII: Super deuteration in the planet forming system IRS 63 where the streamer strikes the disk2407.04813v1 · L. Podio, C. Ceccarelli, C. Codella et al.2024 · 21 citationsA&A 688, L22 (2024)
Binding energies of ethanol and ethylamine on interstellar water ices: synergy between theory and experiments.38904093 · Perrero, Jessica, Vitorino, Julie, Congiu, Emanuele et al.2024 · 7 citationsPhysical chemistry chemical physics : PCCP. 2024;26(26):18205-18222
Multiple chemical tracers finally unveil the intricate NGC\,1333 IRAS\,4A outflow system. FAUST XVI2405.12735v1 · Layal Chahine, Cecilia Ceccarelli, Marta De Simone et al.2024 · 11 citationsarXiv
FAUST XIII. Dusty cavity and molecular shock driven by IRS7B in the Corona Australis cluster2403.18108v2 · G. Sabatini, L. Podio, C. Codella et al.2024 · 0 citationsarXiv
Unlocking the surface chemistry of ionic minerals: a high-throughput pipeline for modeling realistic interfaces.38596731 · Mates-Torres, Eric, Rimola, Albert2026 · 11 citationsJournal of applied crystallography. 2024;57(Pt 2):503-508
Mechanical Properties of Minerals in Lunar and HED Meteorites from Nanoindentation Testing: Implications for Space Mining2402.03960v1 · Eloy Pena-Asensio, Josep M. Trigo.Rodr'iguez, Jordi Sort et al.2024 · 19 citationsarXiv
Theoretical modelling of the adsorption of neutral and charged sulphur-bearing species on to olivine nanoclusters2401.10610v1 · Jessica Perrero, Leire Beitia-Antero, Asunci'on Fuente et al.2024 · 13 citationsarXiv
Single-atom catalysis in space: Computational exploration of Fischer Tropsch reactions in astrophysical environments2312.06416v1 · Gerard Pareras, Victoria Cabedo, Martin McCoustra et al.2023 · 15 citationsA&A, 680 (2023) A57
Gas-Phase vs. Grain-Surface Formation of Interstellar Complex Organic Molecules: A Comprehensive Quantum-Chemical Study.38069147 · Martínez-Bachs, Berta, Rimola, Albert2023 · 11 citationsInternational journal of molecular sciences. 2023;24(23)
Synthesis of urea on the surface of interstellar water ice clusters. A quantum chemical study2311.01175v1 · J. Perrero, A. Rimola2023 · 8 citationsarXiv
Deep machine learning for meteor monitoring: advances with transfer learning and gradient-weighted class activation mapping2310.16826v2 · Eloy Pena-Asensio, Josep M. Trigo-Rodr'iguez, Pau Grebol-Tomas et al.2023 · 16 citationsarXiv
Formation of interstellar complex organic molecules on water-rich ices triggered by atomic carbon freezing2310.14831v1 · Stefano Ferrero, Cecilia Ceccarelli, Piero Ugliengo et al.2023 · 20 citationsarXiv
Oort cloud perturbations as a source of hyperbolic Earth impactors2310.12673v3 · Eloy Pena-Asensio, Jaakko Visuri, Josep M. Trigo-Rodr'iguez et al.2023 · 22 citationsarXiv
Ligand-Aided Glycolysis of PET Using Functionalized Silica-Supported Fe2O3 Nanoparticles.37920799 · Casey, Éadaoin, Breen, Rachel, Gómez, Jennifer S et al.2023 · 30 citationsACS sustainable chemistry & engineering. 2023;11(43):15544-15555
Adsorption of HCN on cosmic silicates: a periodic quantum mechanical study.37781958 · Bancone, Niccolò, Pantaleone, Stefano, Ugliengo, Piero et al.2023 · 13 citationsPhysical chemistry chemical physics : PCCP. 2023;25(39):26797-26812
Computational Study on the Water Corrosion Process at Schreibersite (Fe2NiP) Surfaces: from Phosphide to Phosphates.37876665 · Pantaleone, Stefano, Corno, Marta, Rimola, Albert et al.2024 · 13 citationsACS earth & space chemistry. 2023;7(10):2050-2061
Quantum mechanical modeling of the grain-surface formation of acetaldehyde on HO:CO dirty ice surfaces2308.06492v1 · Jessica Perrero, Piero Ugliengo, Cecilia Ceccarelli et al.2023 · 0 citationsarXiv
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