Publicaciones
Publicaciones agradeciendo al NLHPC por el aporte con capacidad de cómputo a sus proyectos de investigación.
Bayesian sampling with BeAtlas, a grid of synthetic Be star spectra I. Recovering the fundamental parameters of α Eri and β CMi Artículo de revista
En: Monthly Notices of the Royal Astronomical Society, vol. 526, no 2, pp. 3007–3036, 2023, ISSN: 1365-2966.
En: The Journal of Physical Chemistry C, 2023.
Selective reduction of nitroarenes using Ru/C and CaH$łess$sub$greater$2$łess$/sub$greater$ Artículo de revista
En: Organic &$mathsemicolon$ Biomolecular Chemistry, vol. 21, no 1, pp. 187–194, 2023.
Rotational State-to-State Rate Coefficients of HeHNe$łess$sup$greater$$mathplus$$łess$/sup$greater$ by Collision with He at Low Temperatures Artículo de revista
En: ACS Earth and Space Chemistry, 2023.
Machine learning modeling for the prediction of plastic properties in metallic glasses Artículo de revista
En: Scientific Reports, vol. 13, no 1, 2023.
Synthesis, characterization, and DFT study of the s-triazine analogues of medicinal interest incorporated with five- and six-membered bioactive heterocyclic scaffolds Artículo de revista
En: Journal of Molecular Structure, pp. 134922, 2023.
Deciphering electronic and structural effects in Copper Corrole/Graphene Hybrids Artículo de revista
En: Chemistry – A European Journal, 2023.
Increasing resilience to catastrophic near-field tsunamis: systems for capturing, modelling, and assessing vertical evacuation practices Artículo de revista
En: Natural Hazards, 2023.
Electronic Transmutation Concept: Is the Inverse Process Possible? An Evaluation of Main Group Compounds Artículo de revista
En: ACS Omega, 2023.
Unveiling abundance-dependent metabolic phenotypes of microbial communities Artículo de revista
En: 2023.
Butylamine functionalized graphene oxide: experimental and DFT studies of the corrosion inhibition efficiency on MgAZ13 alloy in a 3.5% NaCl environment Artículo de revista
En: Materials Advances, 2023.
Nature of the dative Nitrogen-Coinage metal bond in molecular Motors. Evaluation of NHC-M pyrazine bond (M~=~Cu, Ag, Au) from relativistic DFT Artículo de revista
En: Inorganica Chimica Acta, vol. 549, pp. 121401, 2023.
Calculation of the ELF in the excited state with single determinant methods Artículo de revista
En: 2023.
Unveiling the tartrazine binding mode with ds–DNA by UV-visible spectroscopy, electrochemical, and QM/MM methods Artículo de revista
En: Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, pp. 122400, 2023.
Geometallurgical Detailing of Plant Operation within Open-Pit Strategic Mine Planning Artículo de revista
En: Processes, vol. 11, no 2, pp. 381, 2023.
En: Dalton Transactions, vol. 52, no 5, pp. 1229–1240, 2023.
En: International Journal of Molecular Sciences, vol. 24, no 3, pp. 2730, 2023.
Aroylated phenylenediamine HO53 modulates innate immunity, histone acetylation and metabolism Artículo de revista
En: Molecular Immunology, vol. 155, pp. 153–164, 2023.
Influence of Grain Size on Mechanical Properties of a Refractory High Entropy Alloy under Uniaxial Tension Artículo de revista
En: Crystals, vol. 13, no 2, pp. 357, 2023.
Emergence of Rashba-/Dresselhaus Effects in Ruddlesden-Popper Halide Perovskites with Octahedral Rotations Artículo de revista
En: Journal of Physics: Condensed Matter, 2023.
ASGARD. A simple and automatic GROMACS tool to analyze Molecular Dynamic simulations Artículo de revista
En: 2023.
Computational aspects of column generation for nonlinear and conic optimization: classical and linearized schemes Artículo de revista
En: Computational Optimization and Applications, 2023.
En: RSC Advances, vol. 13, no 8, pp. 5197–5207, 2023.
En: Polyhedron, vol. 234, pp. 116323, 2023.
Analysis of AlphaFold and molecular dynamics structure predictions of mutations in serpins Artículo de revista
En: 2023.
Piperazine-derived small molecules as potential Flaviviridae NS3 protease inhibitors. In vitro antiviral activity evaluation against Zika and Dengue viruses Artículo de revista
En: Bioorganic Chemistry, vol. 133, pp. 106408, 2023.
Planes of Satellites around Simulated Disk Galaxies. II. Time-persistent Planes of Kinematically Coherent Satellites in $upLambda$CDM Artículo de revista
En: The Astrophysical Journal, vol. 942, no 2, pp. 78, 2023.
Origin of the magnetoelectric couplings in the spin dynamics of molecular magnets Artículo de revista
En: Physical Review B, vol. 107, no 9, 2023.
The first HyDRA challenge for computational vibrational spectroscopy Artículo de revista
En: 2023.
Searching for Systems with Planar Hexacoordinate Carbons Artículo de revista
En: Atoms, vol. 11, no 3, pp. 56, 2023.
Computational design of the novel building blocks for the metal-organic frameworks based on the organic ligand protected Cu$łess$sub$greater$4$łess$/sub$greater$ cluster Artículo de revista
En: Physical Sciences Reviews, vol. 0, no 0, 2023.
The aperiodic firehose instability of counter-beaming electrons in space plasmas Artículo de revista
En: Astronomy &$mathsemicolon$ Astrophysics, vol. 670, pp. A85, 2023.
Fishing the Targets of Bioactive Compounds from Psidium guajava L. Leaves in the Context of Diabetes Artículo de revista
En: International Journal of Molecular Sciences, vol. 24, no 6, pp. 5761, 2023.
Gender gaps in Mathematics and Language: The bias of competitive achievement tests Artículo de revista
En: PLOS ONE, vol. 18, no 3, pp. e0283384, 2023.
Uncertainty estimation in the classification of histopathological images with HER2 overexpression using Monte Carlo Dropout Artículo de revista
En: Biomedical Signal Processing and Control, vol. 85, pp. 104864, 2023.
En: Microchemical Journal, vol. 190, pp. 108671, 2023.
Energy poverty effects on policy-based PM2.5 emissions mitigation in southern and central Chile Artículo de revista
En: Energy Policy, vol. 161, pp. 112762, 2022.
Unraveling the Role of the Tyrosine Tetrad from the Binding Site of the Epigenetic Writer MLL3 in the Catalytic Mechanism and Methylation Multiplicity Artículo de revista
En: International Journal of Molecular Sciences, vol. 23, no 18, pp. 10339, 2022.
En: Physical Chemistry Chemical Physics, vol. 24, no 39, pp. 24457–24468, 2022.
ShakerMaker: A framework that simplifies the simulation of seismic ground-motions Artículo de revista
En: SoftwareX, vol. 17, pp. 100911, 2022.
Development of Inclusion Complexes With Relative Humidity Responsive Capacity as Novel Antifungal Agents for Active Food Packaging Artículo de revista
En: Frontiers in Nutrition, vol. 8, 2022.
Anchoring black phosphorus quantum dots over carboxylated multiwalled carbon nanotubes: A stable 0D/1D nanohybrid with high sensing performance to Ochratoxin a Artículo de revista
En: Applied Surface Science, vol. 583, pp. 152429, 2022.
An evaluation of the photochemical air quality modeling using CMAQ in the industrial area of Quintero-Puchuncavi-Concon, Chile Artículo de revista
En: Atmospheric Pollution Research, vol. 13, no 3, pp. 101336, 2022.
Augmented Magnetic Response and Spin-Transfer in Copper Corrole/Graphene Hybrids - A DFT Study Artículo de revista
En: 2022.
Stochastic Electron Acceleration by Temperature Anisotropy Instabilities under Solar Flare Plasma Conditions Artículo de revista
En: The Astrophysical Journal, vol. 924, no 2, pp. 52, 2022.
Species Content Effect on the Rejuvenation Degree of CuZr Metallic Glasses Under Thermal-Pressure Treatments Artículo de revista
En: Metals and Materials International, 2022.
Nanoparticle Shape Influence over Poly(lactic acid) Barrier Properties by Molecular Dynamics Simulations Artículo de revista
En: ACS Omega, vol. 7, no 3, pp. 2583–2590, 2022.
Deexcitation rate coefficients of C3 by collision with H2 at low temperatures Artículo de revista
En: Astronomy & Astrophysics, vol. 657, pp. A55, 2022.
Anchoring black phosphorus quantum dots over carboxylated multiwalled carbon nanotubes: A stable 0D/1D nanohybrid with high sensing performance to Ochratoxin a Artículo de revista
En: Applied Surface Science, vol. 583, pp. 152429, 2022.
Clinical Flair: A Pre-Trained Language Model for Spanish Clinical Natural Language Processing Proceedings Article
En: Proceedings of the 4th Clinical Natural Language Processing Workshop, Association for Computational Linguistics, 2022.
Using Localized Attacks with Probabilistic Failures to Model Seismic Events over Physical-Logical Interdependent Networks Proceedings Article
En: Ribeiro, Pedro; Silva, Fernando; Mendes, José Fernando; Laureano, Rosário (Ed.): Network Science, pp. 1–14, Springer International Publishing, Cham, 2022, ISBN: 978-3-030-97240-0.
Effect of charge inversion on nanoconfined flow of multivalent ionic solutions Artículo de revista
En: Physical Chemistry Chemical Physics, vol. 24, no 8, pp. 4935–4943, 2022.
Nonequilibrium, highly inhomogeneous melting in the microcanonical ensemble Artículo de revista
En: Physica A: Statistical Mechanics and its Applications, pp. 127045, 2022.
Genome sequencing of a predominant clonal lineage of the grain aphid Sitobion avenae Artículo de revista
En: Insect Biochemistry and Molecular Biology, vol. 143, pp. 103742, 2022.
On a Variation of Two-Part Tariff Pricing of Services: A Data-Driven Approach Artículo de revista
En: Manufacturing & Service Operations Management, 2022.
Patient-Wise Methodology to Assess Glycemic Health Status: Applications to Quantify the Efficacy and Physiological Targets of Polyphenols on Glycemic Control Artículo de revista
En: Frontiers in Nutrition, vol. 9, 2022.
Metabolic switch in the aging astrocyte evidenced via integrative approach comprising network and transcriptome analyses Artículo de revista
En: 2022.
High-resolution inventory of atmospheric emissions from transport, industrial, energy, mining and residential activities in Chile Artículo de revista
En: Earth System Science Data, vol. 14, no 1, pp. 361–379, 2022.
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Equipo humano del NLHPC
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Instituciones asociadas al NLHPC