Publicaciones
Publicaciones agradeciendo al NLHPC por el aporte con capacidad de cómputo a sus proyectos de investigación.
A first-principles study of the electronic structure, surface stability, and band alignment of niobium pentoxide Artículo de revista
En: Computational Materials Science, vol. 231, pp. 112536, 2024.
En: Inorganic Chemistry Communications, vol. 159, pp. 111680, 2024, ISSN: 1387-7003.
A multioperator genetic algorithm for the traveling salesman problem with job-times Artículo de revista
En: Expert Systems with Applications, vol. 240, pp. 122472, 2024, ISSN: 0957-4174.
Curving the solvatochromic tendency of pyridinium phenolate sensors by increasing their sensitivity to solvent polarizability Artículo de revista
En: Journal of Molecular Liquids, vol. 395, pp. 123846, 2024, ISSN: 0167-7322.
DFT-ONIOM study of ammonia activation by MM’APO-5 (M, M’ = Ti, Zr, Co) bimetallic molecular sieves. The influence of the neighboring metal from a theoretical point of view Artículo de revista
En: Computational and Theoretical Chemistry, vol. 1232, pp. 114444, 2024, ISSN: 2210-271X.
Nanoindentation of CuZr metallic glasses subjected to thermal–pressure treatments Artículo de revista
En: Journal of Non-Crystalline Solids, vol. 626, pp. 122789, 2024, ISSN: 0022-3093.
Population structure and microscale morphological differentiation in a freshwater snail from the Chilean Altiplano Artículo de revista
En: BMC Ecology and Evolution, vol. 24, no 1, 2024, ISSN: 2730-7182.
Exploring the causes of multicentury pluvials in the Altiplano with a climate modelling experiment Artículo de revista
En: 2024.
Interactions and reactivity in crystalline intermediates of mechanochemical cyclorhodation reactions Artículo de revista
En: Physical Chemistry Chemical Physics, 2024, ISSN: 1463-9084.
The Designed Pore-Forming Antimicrobial Peptide C14R Combines Excellent Activity against the Major Opportunistic Human Pathogen Pseudomonas aeruginosa with Low Cytotoxicity Artículo de revista
En: Pharmaceuticals, vol. 17, no 1, pp. 83, 2024, ISSN: 1424-8247.
Prediction of BiS2-type pnictogen dichalcogenide monolayers for optoelectronics Artículo de revista
En: npj 2D Materials and Applications, vol. 8, no 1, 2024, ISSN: 2397-7132.
The problem of estimation and forecasting of obesity prevalence using sparsely collected data Artículo de revista
En: Engineering Applications of Artificial Intelligence, vol. 132, pp. 107860, 2024, ISSN: 0952-1976.
A retrospective study suggests 55 days of persistence of SARS-CoV-2 during the first wave of the pandemic in Santiago de Chile Artículo de revista
En: Heliyon, pp. e24419, 2024, ISSN: 2405-8440.
Inverting the Solvatochromism of Pyridinium-N-phenolate Dyes by the Addition of a Second Pyridinium Unit Artículo de revista
En: The Journal of Organic Chemistry, 2024, ISSN: 1520-6904.
Understanding Single-Molecule Magnet properties of lanthanide complexes from 4f orbital splitting Artículo de revista
En: Dalton Transactions, 2024, ISSN: 1477-9234.
Effect of a flat band on a multiband two-dimensional Lieb lattice with intra- and interband interactions Artículo de revista
En: Journal of Physics: Condensed Matter, 2024, ISSN: 1361-648X.
Ecological filtering and phylogeographic structuring of Psychrilyobacter within two closely related limpet species from the Southern Ocean Artículo de revista
En: Annals of Microbiology, vol. 74, no 1, 2024, ISSN: 1869-2044.
Toward the Searching for New Photosensitizers for DSSC:Theoretical Study of Both Substituted Zinc (II) and Si (IV) Phthalocyanines Artículo de revista
En: Physical Chemistry Chemical Physics, 2024, ISSN: 1463-9084.
Adsorption of a Ni single atom catalyst on a pristine nanographene (coronene) and H-H activation. A theoretical study of Ni-SAC Artículo de revista
En: Chemical Physics Letters, pp. 141115, 2024, ISSN: 0009-2614.
Unveiling Novel Urease Inhibitors for Helicobacter pylori: A Multi-Methodological Approach from Virtual Screening and ADME to Molecular Dynamics Simulations Artículo de revista
En: International Journal of Molecular Sciences, vol. 25, no 4, pp. 1968, 2024, ISSN: 1422-0067.
Atomic scale study of the impact of metallic glass nanoparticles at high velocities Artículo de revista
En: Journal of Non-Crystalline Solids, vol. 628, pp. 122866, 2024, ISSN: 0022-3093.
En: Journal of Magnetism and Magnetic Materials, vol. 594, pp. 171882, 2024, ISSN: 0304-8853.
Behavior of localized states in double twisted ABC trilayer graphene Artículo de revista
En: Carbon, vol. 222, pp. 118952, 2024, ISSN: 0008-6223.
Lattice vibration modes and electron–phonon interactions in monolayer vs. bilayer of transition metal dichalcogenides Artículo de revista
En: RSC Advances, vol. 14, no 8, pp. 5234–5247, 2024, ISSN: 2046-2069.
Closed-shell d10–d10 mechanochromic [AuPh(CNPh)]n complex: quantum chemistry electronic and optical properties Artículo de revista
En: RSC Advances, vol. 14, no 8, pp. 5638–5647, 2024, ISSN: 2046-2069.
Unveiling the co-phylogeny signal between plunderfish Harpagifer spp. and their gut microbiomes across the Southern Ocean Artículo de revista
En: Microbiology Spectrum, 2024, ISSN: 2165-0497.
A GPU Numerical Implementation of a 2D Simplified Wildfire Spreading Model Capítulo de libro
En: High Performance Computing, pp. 131–145, Springer Nature Switzerland, 2024, ISSN: 1865-0937.
New Perspectives on Delocalization Pathways in Aromatic Molecular Chameleons Artículo de revista
En: ChemPhysChem, 2024, ISSN: 1439-7641.
Chemical bonding dictates drastic critical temperature difference in two seemingly identical superconductors Artículo de revista
En: Proceedings of the National Academy of Sciences, vol. 121, no 14, 2024, ISSN: 1091-6490.
En: The Journal of Physical Chemistry A, 2023.
Microbial and Biogeochemical Shifts in a Highly Anthropogenically Impacted Estuary (textquotedblleftEl Saucetextquotedblright Valparaíso) Artículo de revista
En: Water, vol. 15, no 6, pp. 1251, 2023.
Projections of Beach Erosion and Associated Costs in Chile Artículo de revista
En: Sustainability, vol. 15, no 7, pp. 5883, 2023.
Testing the stress gradient hypothesis in soil bacterial communities associated with vegetation belts in the Andean Atacama Desert Artículo de revista
En: Environmental Microbiome, vol. 18, no 1, 2023.
Exclusive production of quarkonia pairs in collinear factorization framework Artículo de revista
En: Physical Review D, vol. 107, no 3, 2023.
Forecasting the precipitable water vapour along lines of sight in the Chajnantor region from a WRF simulation Artículo de revista
En: Monthly Notices of the Royal Astronomical Society, 2023.
Theoretical Study of Lithium Oxide Clusters Adsorbed on Anatase TiO2 Surface Artículo de revista
En: Surfaces and Interfaces, pp. 102856, 2023.
Linear relationship between emission quantum yield and Stokes shift in 3-styryl aza-coumarin based dyes in the presence of cyclodextrins Artículo de revista
En: Journal of Molecular Liquids, pp. 121790, 2023.
Computational pharmacology and computational chemistry of 4-hydroxyisoleucine: Physicochemical, pharmacokinetic, and DFT-based approaches Artículo de revista
En: Frontiers in Chemistry, vol. 11, 2023.
The Interplay of d and f Orbitals in the Chemistry of the Early Actinides: High Spin Versus Low Spin Artículo de revista
En: Inorganica Chimica Acta, pp. 121527, 2023.
Exploring the potential as molecular quantum-dot cellular automata of a mixed-valence Ru2 complex deposited on a Au(111) surface Artículo de revista
En: Inorganic Chemistry Frontiers, vol. 10, no 8, pp. 2484–2492, 2023.
Kappa-distributed electrons in solar outflows:beam-plasma instabilities and radio emissions Artículo de revista
En: 2023.
Evaluating the inhibitory activity of ferrocenyl Schiff bases derivatives on 5-lipoxygenase: Computational and biological studies Artículo de revista
En: Journal of Inorganic Biochemistry, pp. 112233, 2023.
Nanoporous Amorphous Carbon with Exceptional Ultra-High Strength Artículo de revista
En: Nanomaterials, vol. 13, no 8, pp. 1429, 2023.
Metabolic switch in the aging astrocyte supported via integrative approach comprising network and transcriptome analyses Artículo de revista
En: Aging, 2023.
Near-infrared absorption of fused core-modified expanded porphyrins for dye-sensitized solar cells Artículo de revista
En: The Journal of Chemical Physics, vol. 158, no 16, 2023.
Scaling CO$łess$sub$greater$2$łess$/sub$greater$–brine mixing in permeable media via analogue models Artículo de revista
En: Journal of Fluid Mechanics, vol. 962, 2023.
Magnetostatic interaction between Bloch point nanospheres Artículo de revista
En: Scientific Reports, vol. 13, no 1, 2023.
Conformational Selection of a Tryptophan Side Chain Drives the Generalized Increase in Activity of PET Hydrolases through a Ser/Ile Double Mutation Artículo de revista
En: ACS Organic &$mathsemicolon$ Inorganic Au, vol. 3, no 2, pp. 109–119, 2023.
Magnesium salts in Pregnancy Artículo de revista
En: Journal of Trace Elements and Minerals, pp. 100071, 2023.
Volatile organic compounds measured by proton transfer reaction mass spectrometry over the complex terrain of Quintero Bay, Central Chile Artículo de revista
En: Environmental Pollution, pp. 121759, 2023.
Technology Upgrade Assessment for Open-Pit Mines through Mine Plan Optimization and Discrete Event Simulation Artículo de revista
En: Minerals, vol. 13, no 5, pp. 642, 2023.
Benefiting from the intrinsic role of epigenetics to predict patterns of CTCF binding: Artículo de revista
En: Computational and Structural Biotechnology Journal, 2023.
Plastic behavior of a nanoporous high-entropy alloy under compression Artículo de revista
En: Computational Materials Science, vol. 226, pp. 112241, 2023.
Modularity of food-sharing networks minimises the risk for individual and group starvation in hunter-gatherer societies Artículo de revista
En: PLOS ONE, vol. 18, no 5, pp. e0272733, 2023.
A Heating Mechanism via Magnetic Pumping in the Intracluster Medium Artículo de revista
En: The Astrophysical Journal, vol. 947, no 2, pp. 89, 2023.
Structural Investigation of Small Nickel-Ethanol Clusters Using Vibrational Spectroscopy in a Molecular Beam Artículo de revista
En: ChemPhysChem, 2023.
Scaling CO$łess$sub$greater$2$łess$/sub$greater$–brine mixing in permeable media via analogue models Artículo de revista
En: Journal of Fluid Mechanics, vol. 962, 2023.
New Benzotrithiophene-Based Molecules as Organic P-Type Semiconductor for Small-Molecule Organic Solar Cells Artículo de revista
En: Materials, vol. 16, no 10, pp. 3759, 2023.
Stability and electronic properties of aromatic and heteroaromatic molecules for Guest@MOF complexes Artículo de revista
En: Microporous and Mesoporous Materials, pp. 112593, 2023.
Percolation detection using convolutional deep neural networks Proceedings Article
En: IWOSP 2021, INTERNATIONAL WORKSHOP ON STATISTICAL PHYSICS, AIP Publishing, 2023.
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Equipo humano del NLHPC
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Instituciones asociadas al NLHPC