Publicaciones
Publicaciones agradeciendo al NLHPC por el aporte con capacidad de cómputo a sus proyectos de investigación.
Mechanochromic emission in ternary CB[8]TPA2 array. Insights into the role of host-interaction nature Artículo de revista
En: Dyes and Pigments, vol. 245, pp. 113214, 2026, ISSN: 0143-7208.
The role of protonation and solvation in modulating the electronic structure in α- and β-D-glucosamine: A density functional theory study Artículo de revista
En: Journal of Molecular Graphics and Modelling, vol. 142, pp. 109175, 2026, ISSN: 1093-3263.
A high-throughput framework for predicting surface density of states from bulk electronic structure Artículo de revista
En: Physica B: Condensed Matter, vol. 720, pp. 417999, 2026, ISSN: 0921-4526.
First-principles insights into the optical response of the MOF-5 metal–organic framework for gas sensing applications Artículo de revista
En: Computational Materials Science, vol. 262, pp. 114351, 2026, ISSN: 0927-0256.
Enhancing quasi-nonlinear long-term cognitive networks with temporal attention for pattern classification Artículo de revista
En: Neurocomputing, vol. 659, pp. 131830, 2026, ISSN: 0925-2312.
Targeting HDAC3 dynamics: Allosteric role of Phe200 in inhibitor binding and breast cancer therapy Artículo de revista
En: Journal of Molecular Graphics and Modelling, vol. 142, pp. 109226, 2026, ISSN: 1093-3263.
Emergent Salmonella enterica serovar Infantis forms a monophyletic lineage shaped by geographic structuring Artículo de revista
En: International Journal of Food Microbiology, vol. 446, pp. 111536, 2026, ISSN: 0168-1605.
Insights into amorphous silicon nanoparticle impacts on crystalline silicon through molecular dynamics volume = 192 Artículo de revista
En: Journal of Aerosol Science, pp. 106738, 2026, ISSN: 0021-8502.
Selenium-modified graphene oxide: A tri-dimensional study of its cytotoxicity and developmental effects Artículo de revista
En: Materials Today Bio, vol. 36, pp. 102650, 2026, ISSN: 2590-0064.
Desert-adapted tomato Solanum pennellii exhibit unique regulatory elements and stress-ready transcriptome patterns to drought Artículo de revista
En: PLOS One, vol. 20, no 5, pp. e0324724, 2025, ISSN: 1932-6203.
CuZr metallic glasses under tensile cyclic loading: inspection of Z cluster networks Artículo de revista
En: Physica Scripta, vol. 100, no 6, pp. 065921, 2025, ISSN: 1402-4896.
Controlling vortex matter via a superconducting nano-bridge sample Artículo de revista
En: Applied Physics A, vol. 131, no 6, 2025, ISSN: 1432-0630.
Hollow silver nanoparticle formation under ultrafast laser irradiation via single- and multiple-shots Artículo de revista
En: The Journal of Chemical Physics, vol. 162, no 15, 2025, ISSN: 1089-7690.
Thermal behavior in FeCuCrCoNi high entropy alloy nanoparticles: an atomistic approach Artículo de revista
En: RSC Advances, vol. 15, no 22, pp. 17695–17705, 2025, ISSN: 2046-2069.
State-to-state rotational rate coefficients for the OCS+H2 collision at low temperatures Artículo de revista
En: Astronomy & Astrophysics, 2025, ISSN: 1432-0746.
Effect of temperature on the degradation of mechanical properties in ZrNb metallic glass Artículo de revista
En: Journal of Non-Crystalline Solids, vol. 666, pp. 123617, 2025, ISSN: 0022-3093.
A machine-learning approach for predicting butyrate production by microbial consortia using metabolic network information Artículo de revista
En: PeerJ, vol. 13, pp. e19296, 2025, ISSN: 2167-8359.
STELLAR Enables CPU-Based Fragment Docking and Reconstruction of Large Peptides Without AI Assistance Artículo de revista
En: 2025.
Elucidating OASL-RNA Interactions: Structural and energetic insights into vault RNAs binding Artículo de revista
En: Journal of Molecular Graphics and Modelling, vol. 139, pp. 109071, 2025, ISSN: 1093-3263.
Targeting Drug Resistance in Cancer: Dimethoxycurcumin as a Functional Antioxidant Targeting ABCC3 Artículo de revista
En: Antioxidants, vol. 14, no 5, pp. 599, 2025, ISSN: 2076-3921.
Combining Low‐Valent AlI and SnII Metal Centers for Small Molecule Activation Artículo de revista
En: European Journal of Inorganic Chemistry, vol. 28, no 16, 2025, ISSN: 1099-0682.
Machine Learning for the Prediction of Thermodynamic Properties in Amorphous Silicon Artículo de revista
En: Applied Sciences, vol. 15, no 10, pp. 5574, 2025, ISSN: 2076-3417.
Impact-Induced Plastic Deformation in CuZr Metallic Glass and MG/Cu Composites Artículo de revista
En: Inorganics, vol. 13, no 5, pp. 141, 2025, ISSN: 2304-6740.
Bayesian model selection for analyzing predictor-dependent directional data Artículo de revista
En: Statistics and Computing, vol. 35, no 5, 2025, ISSN: 1573-1375.
Theoretical Study of Cu Carbenoids in C–H Activation Reactions: The Interplay between Metal Back-Donation and Electrophilicity of the Carbon Artículo de revista
En: The Journal of Physical Chemistry A, 2025, ISSN: 1520-5215.
The CIELO project: The chemo-dynamical properties of galaxies and the cosmic web Artículo de revista
En: Astronomy & Astrophysics, vol. 697, pp. A134, 2025, ISSN: 1432-0746.
Tidal energy resource assessment in the Strait of Magellan in the Chilean Patagonia Artículo de revista
En: Renewable Energy, vol. 252, pp. 123430, 2025, ISSN: 0960-1481.
Electronic and optical properties of $$hbox Nb_2hbox O_5$$ polymorphs: a first-principles study applying quasi-particle theory Artículo de revista
En: Optical and Quantum Electronics, vol. 57, no 6, 2025, ISSN: 1572-817X.
The Silene latifolia genome and its giant Y chromosome Artículo de revista
En: Science, vol. 387, no 6734, pp. 630–636, 2025, ISSN: 1095-9203.
Exploring the Causes of Multicentury Hydroclimate Anomalies in the South American Altiplano with an Idealized Climate Modeling Experiment Artículo de revista
En: Atmosphere, vol. 16, no 7, pp. 751, 2025, ISSN: 2073-4433.
Proper pandemic preparedness requires an integrated cross-regional effort, the case of the ECLIPSE consortium in America: a narrative review Artículo de revista
En: Journal of Health, Population and Nutrition, vol. 44, no 1, 2025, ISSN: 2072-1315.
Ga5Li12+: A Doubly Aromatic Ga511– Ring Stabilized by Lithium Cations Artículo de revista
En: Inorganic Chemistry, 2025, ISSN: 1520-510X.
CorrEA: A Web Server for Optimizing Correlations between Calculated Energies and Activities in Ligand–Receptor Systems Considering Multiple Binding Site Conformations Artículo de revista
En: Journal of Chemical Information and Modeling, 2025, ISSN: 1549-960X.
Computational Discovery and Optimization of a Potent, Selective, and Drug-like Scaffold for p38α Inhibition Artículo de revista
En: 2025.
Insights into the Catalytic Mechanism and Selectivity of S-Adenosyl Methionine (SAM)-Dependent Fluorinase toward Carbon–Halogen Bond Formation Artículo de revista
En: Journal of Chemical Information and Modeling, 2025, ISSN: 1549-960X.
PavSPL Expression Dynamics in Fruits and Seeds and in Relation to Endocarp Lignification Status During the Transition from Development to Ripening in Sweet Cherry Artículo de revista
En: Horticulturae, vol. 11, no 6, pp. 706, 2025, ISSN: 2311-7524.
Momentum and energy dynamics across scales in the flow over a rough bed with an array of boulders Artículo de revista
En: Journal of Fluid Mechanics, vol. 1014, 2025, ISSN: 1469-7645.
Improving the antimicrobial potential of the peptide CIDEM-501 through acylation: A computational approach Artículo de revista
En: Biochimica et Biophysica Acta (BBA) - Biomembranes, vol. 1867, no 3, pp. 184407, 2025, ISSN: 0005-2736.
CO2 Methanation Routes on Ni, Co, and NiCo (111) and (100) Surfaces Artículo de revista
En: ChemPhysChem, 2025, ISSN: 1439-7641.
Structural prediction and surface-induced short-range order in HfNbTaZr high-entropy alloy nanoparticles Artículo de revista
En: The Journal of Chemical Physics, vol. 163, no 1, 2025, ISSN: 1089-7690.
A mixed-integer optimization formulation for buyer formation Artículo de revista
En: Computers & Operations Research, vol. 183, pp. 107181, 2025, ISSN: 0305-0548.
High spatial resolution WRF-Chem modeling in Quito, Ecuador Artículo de revista
En: Environmental Science: Advances, 2025, ISSN: 2754-7000.
Anti-biofilm peptides can rescue fluconazole and amphotericin B efficacies against Candida albicans Artículo de revista
En: Scientific Reports, vol. 15, no 1, 2025, ISSN: 2045-2322.
A methodology for estimation of local black carbon and PM2.5 emissions in suburban zones. Case study of Santiago, Chile. Artículo de revista
En: Atmospheric Pollution Research, pp. 102674, 2025, ISSN: 1309-1042.
En: Chemistry – A European Journal, 2025, ISSN: 1521-3765.
Computational Insights into Two-Dimensional M3(HHTP)2 Metal–Organic Frameworks as ORR/OER Electrocatalysts Artículo de revista
En: The Journal of Physical Chemistry C, 2025, ISSN: 1932-7455.
Mocking integral field unit observations and metallicity diagnostics from cosmological simulations Artículo de revista
En: Astronomy & Astrophysics, 2025, ISSN: 1432-0746.
Optical properties and spin states of inter-layer carbon defect pairs in hexagonal boron nitride: a first-principles study Artículo de revista
En: Physical Chemistry Chemical Physics, 2025, ISSN: 1463-9084.
Single-Molecule Magnet Behavior in a Series of Defective Dicubane Zn2Dy2 Tetranuclear Clusters with Diverse Anionic Coligands Artículo de revista
En: Crystal Growth & Design, 2025, ISSN: 1528-7505.
Prediction of cart abandonment using imbalanced clickstream data in online shopping Artículo de revista
En: Electronic Commerce Research, 2025, ISSN: 1572-9362.
Transition between water-in-DES to DES-in-water in choline chloride–lactic acid mixtures: Implications for polyphenol extraction Artículo de revista
En: Journal of Molecular Liquids, vol. 436, pp. 128124, 2025, ISSN: 0167-7322.
In Silico Estimation of Solvent Polarizabilities and Dipolarities Artículo de revista
En: The Journal of Physical Chemistry A, 2025, ISSN: 1520-5215.
Inverse simulation learning of Quasi-Nonlinear Fuzzy Cognitive Maps Artículo de revista
En: Neurocomputing, vol. 650, pp. 130864, 2025, ISSN: 0925-2312.
En: Chemical Physics Letters, vol. 877, pp. 142254, 2025, ISSN: 0009-2614.
Hemispheric differences in ozone across the stratosphere–troposphere exchange region Artículo de revista
En: Atmospheric Chemistry and Physics, vol. 25, no 15, pp. 8553–8573, 2025, ISSN: 1680-7324.
Controlling plastic deformation in hollow metallic glass nanoparticles under compression: Competition between bending and shear banding Artículo de revista
En: Journal of Non-Crystalline Solids, vol. 666, pp. 123703, 2025, ISSN: 0022-3093.
Increasing the Orthogonality of 4‐Pyridiniophenols: An NMR Study of Their Solvatomagnetism Artículo de revista
En: Magnetic Resonance in Chemistry, vol. 63, no 4, pp. 283–291, 2025, ISSN: 1097-458X.
Identification of the harmful cyanobacteria Microcystis aeruginosa in the urban wetlands El Loto, from Llanquihue city, Chile, using metagenomic and microbiological approaches Artículo de revista
En: Geology, Ecology, and Landscapes, vol. 0, no 0, pp. 1–7, 2025.
Pressure effect on the atomic structure of amorphous silicon Artículo de revista
En: Journal of Molecular Modeling, vol. 31, no 9, pp. 241, 2025.
Equipo
Equipo humano del NLHPC
Socios
Instituciones asociadas al NLHPC