Publicaciones
Publicaciones agradeciendo al NLHPC por el aporte con capacidad de cómputo a sus proyectos de investigación.
Multi-step probabilistic forecasting model using deep learning parametrized distributions Artículo de revista
En: Soft Computing, 2023.
Ferrocene analogs of Brooker's Merocyanine: A new library of organometallic inverted solvatochromic dyes Artículo de revista
En: Organic Chemistry Frontiers, 2023.
Spin Frustrated Pyrazolato Triangular CuII Complex. Structure and Magnetic Properties, an Overview. Artículo de revista
En: 2023.
Effect of Inhibiting Butyrylcholinesterase Activity Using Fractionated Coffee Extracts Digested In Vitro in Gastrointestinal Tract: Docking Simulation and Calorimetric and Studies Artículo de revista
En: Nutrients, vol. 15, no 10, pp. 2366, 2023.
Automatic generation of a hybrid algorithm for the maximum independent set problem using genetic programming Artículo de revista
En: Applied Soft Computing, pp. 110474, 2023.
An agent-based and microsimulated model of the epidemiology impact of closure of schools during the COVID-19 pandemic in the region of Aysen in Chile Artículo de revista
En: Journal of Dynamics and Games, vol. 0, no 0, pp. 0–0, 2023.
Probing radiation resistance in simulated metallic core–shell nanoparticles Artículo de revista
En: Computational Materials Science, vol. 227, pp. 112304, 2023.
Exploring the viability of noble gas endohedral siladodecahedranes and its perhalogenated derivatives Artículo de revista
En: Journal of Molecular Structure, pp. 135967, 2023.
Photoconductive Metal-Organic Frameworks based on 10, 20-meso-substituted Zn-Porphyrin and Fullerene C60 Artículo de revista
En: Surfaces and Interfaces, pp. 103002, 2023.
Computational design and properties elucidation of new (FAPbI3)1-x-y(MAPbBr3)y(CsPbBr3)x photoactive systems for their application in perovskite solar cells Artículo de revista
En: Materials Today Communications, vol. 34, pp. 105324, 2023.
On the Importance of Noncovalent Interactions in the Stabilization of Nonconventional Compounds Using Bulky Groups Artículo de revista
En: ACS Omega, 2023.
Insights into the structural and energetic descriptions of Ubiquitin Specific Protease 7 (USP7) catalytic mechanisms by hybrid QM/MM simulations. Artículo de revista
En: ChemCatChem, 2023.
Rotational relaxation of SiCSi by collision with para-Htextdollartextdollar_2(j=0)textdollartextdollar Artículo de revista
En: The European Physical Journal D, vol. 77, no 6, 2023.
Enhanced Photoelectrochemical Activity of CuWO$łess$sub$greater$4 $łess$/sub$greater$Photoanode by Yttrium Doping Artículo de revista
En: Journal of The Electrochemical Society, 2023.
Wind Simulations over Western Patagonia Using the Weather Research and Forecasting model and Reanalysis Artículo de revista
En: Atmosphere, vol. 14, no 7, pp. 1062, 2023.
Kappa-Distributed Electrons in Solar Outflows: Beam-Plasma Instabilities and Radio Emissions Artículo de revista
En: Solar Physics, vol. 298, no 5, 2023.
Exclusive photoproduction of textdollartextdollarB_$łbrace$c$rbrace$^$łbrace$textbackslashpm $rbrace$textdollartextdollar and bottomonia pairs Artículo de revista
En: The European Physical Journal C, vol. 83, no 6, 2023.
Cl@Si20X20 cages. Evaluation of Encapsulation Nature, Structural Rigidity, and 29Si-NMR Patterns from Relativistic DFT Calculations Artículo de revista
En: Physical Chemistry Chemical Physics, 2023.
DNA facilitates heterodimerization between human transcription factors FoxP1 and FoxP2 by increasing their conformational flexibility. Artículo de revista
En: iScience, pp. 107228, 2023.
First metagenomic analysis of the Andean condor ($łess$i$greater$Vultur gryphus$łess$/i$greater$) gut microbiome reveals microbial diversity and wide resistome Artículo de revista
En: PeerJ, vol. 11, pp. e15235, 2023.
En: Polyhedron, pp. 116538, 2023.
En: Physical Chemistry Chemical Physics, 2023.
Preparation, Crystal Structure, Supramolecular Assembly, and DFT Studies of Two Organic Salts Bearing Pyridine and Pyrimidine Artículo de revista
En: ACS Omega, 2023.
Basin-scale hydrodynamics and physical connectivity in a great Patagonian Lake Artículo de revista
En: Journal of Great Lakes Research, vol. 49, no 1, pp. 172–189, 2023.
2D finger-printing and molecular docking studies identified potent mosquito repellents targeting odorant binding protein 1 Artículo de revista
En: Insect Biochemistry and Molecular Biology, vol. 157, pp. 103961, 2023.
A novel Bayesian reconstruction of the configurational density of states Artículo de revista
En: Computational Materials Science, vol. 228, pp. 112326, 2023.
Protein-Mediated Electroporation in a Cardiac Voltage-Sensing Domain Due to an nsPEF Stimulus Artículo de revista
En: International Journal of Molecular Sciences, vol. 24, no 14, 2023, ISSN: 1422-0067.
Insights into the Structural and Energetic Descriptions of Ubiquitin Specific Protease 7 (USP7) Catalytic Mechanisms by Hybrid QM/MM Simulations. Artículo de revista
En: ChemCatChem, 2023.
Structure and stability of Mo-doped Cu (n~=~1–12) clusters: DFT calculations Artículo de revista
En: Inorganica Chimica Acta, vol. 556, pp. 121620, 2023.
Spin-active single photon emitters in hexagonal boron nitride from carbon-based defects Artículo de revista
En: Physica Scripta, 2023.
Spin Frustrated Pyrazolato Triangular CuII Complex: Structure and Magnetic Properties, an Overview Artículo de revista
En: Magnetochemistry, vol. 9, no 6, pp. 155, 2023.
Computational insights on the antioxidant, antinitrosant, and Xanthine Oxidase inhibitory capacities of neobavaisoflavone Artículo de revista
En: New Journal of Chemistry, 2023.
3D Nuclei Segmentation through Deep Learning Proceedings Article
En: 2023 IEEE Conference on Artificial Intelligence (CAI), IEEE, 2023.
Novel Fluorinated Biphenyl Compounds Synthesized via Pd(0)-Catalyzed Reactions: Experimental and Computational Studies Artículo de revista
En: ACS Omega, 2023.
Redshift evolution of the dark matter haloes shapes Artículo de revista
En: Monthly Notices of the Royal Astronomical Society, vol. 523, no 2, pp. 1919–1932, 2023.
Calculation of the ELF in the excited state with single-determinant methods Artículo de revista
En: The Journal of Chemical Physics, vol. 158, no 17, 2023.
Calculation of the ELF in the excited state with single-determinant methods Artículo de revista
En: The Journal of Chemical Physics, vol. 158, no 17, 2023.
Hydrogen Bonds in Lead Halide Perovskites: Insights from $łess$i$greater$Ab Initio$łess$/i$greater$ Molecular Dynamics Artículo de revista
En: The Journal of Physical Chemistry C, 2023.
Engineering the catalytic activity of an Antarctic $łess$scp$greater$PET$łess$/scp$greater$-degrading enzyme by loop exchange Artículo de revista
En: Protein Science, 2023.
Vacancies and Stone–Wales defects in twisted bilayer graphene – A comparative theoretical study Artículo de revista
En: FlatChem, vol. 41, pp. 100541, 2023.
Evaluation of mode of indoleamine 2, 3-dioxygenase 1 inhibition by 4, 7-dichloroquinolines Artículo de revista
En: European Journal of Medicinal Chemistry Reports, vol. 9, pp. 100110, 2023.
En: RSC Advances, vol. 13, no 35, pp. 24499–24504, 2023.
Formation of H2 on polycyclic aromatic hydrocarbons under conditions of the ISM: an ab initio molecular dynamics study Artículo de revista
En: Monthly Notices of the Royal Astronomical Society, vol. 524, no 3, pp. 3741–3748, 2023.
Developing a Temperature-Inducible Transcriptional Rheostat in Neurospora crassa Artículo de revista
En: mBio, vol. 14, no 1, 2023.
An optimization-based approach for an integrated forest fire monitoring system with multiple technologies and surveillance drones Artículo de revista
En: European Journal of Operational Research, 2023.
Persistent and occasional: Searching for the variable population of the ZTF/4MOST sky using ZTF Data Release 11 Artículo de revista
En: Astronomy &$mathsemicolon$ Astrophysics, vol. 675, pp. A195, 2023.
Relation Between Oceanic Plate Structure, Patterns of Interplate Locking and Microseismicity in the 1922 Atacama Seismic Gap Artículo de revista
En: Geophysical Research Letters, vol. 50, no 15, 2023.
Improving WAVEWATCH III hindcasts with machine learning Artículo de revista
En: Coastal Engineering, vol. 185, pp. 104381, 2023.
Exploring the Antioxidant Properties of Caffeoylquinic and Feruloylquinic Acids: A Computational Study on Hydroperoxyl Radical Scavenging and Xanthine Oxidase Inhibition Artículo de revista
En: Antioxidants, vol. 12, no 9, pp. 1669, 2023.
Quantum chemical analysis of isomerization and protonation of amino group in D-glucosamine Artículo de revista
En: MRS Communications, 2023.
Theoretical and Anti-Klebsiella pneumoniae Evaluations of Substituted 2, 7-dimethylimidazo[1, 2-a]pyridine-3-carboxamide and Imidazopyridine Hydrazide Derivatives Artículo de revista
En: Molecules, vol. 28, no 6, pp. 2801, 2023.
Hybrid Simulation and Quasi-linear Theory of Bi-Kappa Proton Instabilities Artículo de revista
En: The Astrophysical Journal, vol. 954, no 2, pp. 191, 2023.
Graphene-supported MB36 clusters (M=Fe, Co, Ni) as a single-atom electrocatalyst for the oxygen reduction reaction: A DFT study Artículo de revista
En: Electrochimica Acta, pp. 143165, 2023.
Alert Classification for the ALeRCE Broker System: The Anomaly Detector Artículo de revista
En: The Astronomical Journal, vol. 166, no 4, pp. 151, 2023.
Is there a Covalent Au(I)–Au(I) Bond in the trans-(AuX)$łess$sub$greater$2$łess$/sub$greater$ (X = F, Cl, Br, I) Structure? A Post-Hartree–Fock and Density Functional Theory Study Artículo de revista
En: Inorganic Chemistry, 2023.
Why Yttrium Hexaboride Exhibits a Much Higher Superconducting Tc than Near-Identical Lanthanum Hexaboride Artículo de revista
En: 2023.
Rhenium and Rhenium–Copper Nanoparticles: Evaluation of the Catalytic Activity for the Decomposition of Ammonium Perchlorate Artículo de revista
En: Catalysis Letters, 2023.
Thermodynamic and Ab Initio Design of Multicomponent Alloys Based on (Fe50Mn30Co10Cr10)-xBx (x = 0, 5, 7, 10, and 15 at.%) Artículo de revista
En: Materials, vol. 16, no 16, pp. 5579, 2023.
Equipo
Equipo humano del NLHPC
Socios
Instituciones asociadas al NLHPC