Publicaciones
Publicaciones agradeciendo al NLHPC por el aporte con capacidad de cómputo a sus proyectos de investigación.
Synthesis, Structure, and Reactivity of a Magnesium(0) Complex with a Polarized Mg δ− ─Ca δ+ Bond ISSN = 1521-3773 Artículo de revista
En: Angewandte Chemie International Edition, 2026.
Chemical Profiling and Cheminformatic Insights into Piper Essential Oils as Sustainable Antimicrobial Agents Against Pathogens of Cocoa Crops volume = 31 Artículo de revista
En: Molecules, no 2, pp. 326, 2026, ISSN: 1420-3049.
Scour‐Conditioned Seismic Fragility Analysis of Monopile‐Supported Offshore Wind Turbines ISSN = 1096-9845 Artículo de revista
En: Earthquake Engineering & Structural Dynamics, 2026.
The mass-metallicity relation of bulges volume = 705 Artículo de revista
En: Astronomy & Astrophysics, pp. A87, 2026, ISSN: 1432-0746.
Discovery and Preliminary Characterization of Lactose-Transforming Enzymes in Ewingella americana L47: A Genomic, Biochemical, and In Silico Approach volume = 27 Artículo de revista
En: International Journal of Molecular Sciences, no 2, pp. 1128, 2026, ISSN: 1422-0067.
Electronic Structure Descriptors for the Adsorption of Aromatic Molecules on Metals ISSN = 1520-5002 Artículo de revista
En: Chemistry of Materials, 2026.
The ALMA survey to Resolve exoKuiper belt Substructures (ARKS) volume = 705 Artículo de revista
En: Astronomy & Astrophysics, pp. A203, 2026, ISSN: 1432-0746.
Exploration of the interaction strength at the interface of neutral chalcogen ligands and gold surfaces volume = 16 Artículo de revista
En: RSC Advances, no 5, pp. 4335-4346, 2026, ISSN: 2046-2069.
A Computational Tool and Web Server for the Prediction of Obesity Drugs Artículo de revista
En: Obesity, 2026, ISSN: 1930-739X.
Advancing Ozone Forecasting in High-Altitude Tropical Cities: A WRF-Chem Application for Quito, Ecuador ISSN = 1309-1042 Artículo de revista
En: Atmospheric Pollution Research, pp. 102925, 2026.
Computational modeling of ubiquitin specific protease7 (USP7) complexes with N-benzylpiperidinol derivatives incorporating binding site flexibility volume = 144 Artículo de revista
En: Journal of Molecular Graphics and Modelling, pp. 109272, 2026, ISSN: 1093-3263.
OBE ‐ DB : A Computational Tool and Web Server for the Prediction of Obesity Drugs ISSN = 1930-739X Artículo de revista
En: Obesity, 2026.
Experimental study of shear thinning effects on solitary wave propagation: A Newtonian fluid comparison volume = 348 Artículo de revista
En: Journal of Non-Newtonian Fluid Mechanics, pp. 105560, 2026, ISSN: 0377-0257.
Accurate haplotype-resolved de novo assembly of human genomes with RFhap Artículo de revista
En: 2026.
Evaluation of Planar‐ and Bowl‐Shaped Metallophosphaporphyrins. Inclusion of Steric Effects in P4‐Metalloporphyrins Counterparts volume = 9 Artículo de revista
En: Advanced Theory and Simulations, no 2, 2026, ISSN: 2513-0390.
Integrated experimental and theoretical study of CuO/ZnO nanocomposites for photocatalytic and supercapacitor applications volume = 84 Artículo de revista
En: Surfaces and Interfaces, pp. 108506, 2026, ISSN: 2468-0230.
Structure–property relationships governing metallic glass strength from atomistic simulations volume = 679 Artículo de revista
En: Journal of Non-Crystalline Solids, pp. 124023, 2026, ISSN: 0022-3093.
Positional isomers of π-extended phenolate-based inverted solvatochromic dyes: Shifting the inversion point by relocating the aryl spacer volume = 250 Artículo de revista
En: Dyes and Pigments, pp. 113635, 2026, ISSN: 0143-7208.
Genomic resilience to sequential environmental perturbations in two sympatric costal fish species volume = 216 Artículo de revista
En: Marine Environmental Research, pp. 107893, 2026, ISSN: 0141-1136.
A Multi-Method Antarctic Atmospheric Blocking Dataset (1979–2024) url = https://doi.org/10.5194/essd-2026-55 Artículo de revista
En: 2026.
Superconducting diode effect in a meso-wedge geometry with Abrikosov vortices volume = 9 Artículo de revista
En: SciPost Physics Core, no 1, 2026, ISSN: 2666-9366.
En: Pharmaceuticals, no 3, pp. 381, 2026, ISSN: 1424-8247.
Enhancing Drug Repurposing with Consensus Docking: Discovery of Novel Discoidin Domain Receptor1 Inhibitors volume = 21 Artículo de revista
En: ChemMedChem, no 2, 2026, ISSN: 1860-7187.
Very low-mass stars and their tidal disruption around a stellar mass black hole volume = 371 Artículo de revista
En: Astrophysics and Space Science, no 2, 2026, ISSN: 1572-946X.
New self-consistent theoretical descriptions for mass-loss rates of O-type stars url = https://arxiv.org/abs/2602.16526 Artículo de revista
En: arXiv, 2026.
Isotopic effects in rotational de-excitation of H2CO isotopologues (HDCO and D2CO) by He at low temperatures Artículo de revista
En: Astronomy & Astrophysics, 2026, ISSN: 1432-0746.
Kinetic energy fluctuations and specific heat in generalized ensembles url = https://arxiv.org/abs/2603.02168 Artículo de revista
En: arXiv, 2026.
Coexistence of Uniform and Dimerized Chains in Low-Dimensional NbS3 : Metallic vs Semiconducting Character ISSN = 1520-510X Artículo de revista
En: Inorganic Chemistry, 2026.
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.
A multi-objective optimization approach for the electric transit network design and frequency setting problem Artículo de revista
En: Applied Mathematical Modelling, vol. 154, pp. 116669, 2026, ISSN: 0307-904X.
Transcription-based comparison of Aggregatibacter actinomycetemcomitans or Porphyromonas gingivalis-induced experimental periodontitis ISSN = 2165-0497 Artículo de revista
En: Microbiology Spectrum, 2026.
Electric fields enhance Diels–Alderase catalysis in abyssomicin C biosynthesis ISSN = 1364-548X Artículo de revista
En: Chemical Communications, 2026.
Reticulon-1 synthesis controls outgrowth and microtubule dynamics in injured cortical axons volume = 9 Artículo de revista
En: Life Science Alliance, no 4, pp. e202503571, 2026, ISSN: 2575-1077.
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.
Multi-trait GWAS for growth under contrasting thermal rearing conditions in rainbow trout (Oncorhynchus mykiss) Artículo de revista
En: Molecular Genetics and Genomics, vol. 300, no 1, 2025, ISSN: 1617-4623.
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.
Mechanical properties of High Entropy Alloy nanoparticles obtained by nanoindentation: A BCC HfNbZrTaTi and FCC FeNiCrCoCu case volume = 43 Artículo de revista
En: Materials Today Communications, pp. 111628, 2025, ISSN: 2352-4928.
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.
An Experience-Based Choice Model (EBCM): Formulation, identification, behavioural insights and well-being assessment volume = 55 Artículo de revista
En: Journal of Choice Modelling, pp. 100552, 2025, ISSN: 1755-5345.
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.
Topological Chiral Magnons in the Altermagnet AgF 2 Monolayer Artículo de revista
En: Chinese Physics Letters, 2025, ISSN: 1741-3540.
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.
Equipo
Equipo humano del NLHPC
Socios
Instituciones asociadas al NLHPC