Publicaciones Antiguas

Publicaciones antiguas



Aravena D, Venegas-Yazigi D, Ruiz E. 2016. Single-Molecule Magnet Properties of Transition-Metal Ions Encapsulated in Lacunary Polyoxometalates: A Theoretical Study. Inorganic Chemistry 55, 6405-6413

Aravena D, Neese F, Pantazis D. 2016. Improved Segmented All-Electron Relativistically Contracted Basis Sets for the Lanthanides. J. Chem. Theory Comput. 12 (3), pp 1148–1156.

Aravena D, Venegas-Yazigi D, Ruiz E. 2016. Exchange Interactions on the Highest-Spin Reported Molecule: the Mixed-Valence Fe42 Complex. Scientific Reports 6, Article number: 23847.

Bartels J, Levin E, Siddikov M. 2016. On the energy spectrum of the electroweak Pomeron. JHEP arXiv

Berlanga I, Etcheverry-Berríos A, Mella A, Jullian D, Gómez V, Aliaga-Alcalde N, Fuenzalida V, Flores M, Soler M. 2016. Formation of Self-Assembled Monolayer of Curcuminoid Molecules on Gold Surfaces. Applied Surface Science 392, 834-840.

Cordova AM, Arévalo J, Marín JC, Baumgardner D. 2016. On the transport of urban pollution in an Andean mountain valley. Aerosol & Air Quality Research.

Correa K, Lhorente JP, Bassini L, López ME, Di Genova A, Maass A, Davidson WS, Yáñez JM. 2016. Genome wide association study for resistance to Caligus rogercresseyi in Atlantic salmon (Salmo salar L.) using a 50K SNP genotyping array. Aquaculture.

Correa J.D, Cisternas E. 2016. Ab initio calculations on twisted graphene/hBN: Electronic structure and STM image simulation. Solid State Communications 241: 1-6

Ding M, Cutsail G, Aravena D, Amoza M, Rouzières M, Dechambenoit P, Losovyj Y, Pink M, Ruiz E, Clérac R, Smith JM. 2016 A Low Spin Manganese(IV) Nitride Single Molecule Magnet; Chem Sci7, 6132-6140

Escalona Y, Garate J.A, Araya-Secchi R, Huynh T, Zhou R, Pérez-Acle T. 2016. Exploring the Membrane Potential of Simple Dual-Membrane Systems as Models for Gap-Junction Channels. Biophysical Journal 110: 2678-2688.

Flores M.A, Orellana W, Menéndez-Proupin E. 2016. First-principles DFT+GW study of oxygen-doped CdTe. 2016.  Phys. Rev. B 93, 184103

Flores M.A, Orellana W, Menéndez-Proupin E. 2016. First-principles DFT + GW study of the Te antisite in CdTe. Computational Material Sciences. 125, 176-182.

Flores-Quiroz A, Palma-Behnke R, Zakeri G, Moreno R. 2016.  A column generation approach for solving generation expansion planning problems with high renewable energy penetration. Electric Power Systems Research 136, 232-241.

Gárate J, Pérez-Acle T. 2016. From dimers to collective dipoles: Structure and dynamics of methanol/ethanol partition by narrow carbon nanotubes. J. Chem. Phys. 144, 064105.

Gónzález M.I, Centres P.M, Lebrecht W, Ramírez-Pastor A.J. 2016. Site-bond percolation on simple cubic lattices: numerical simulation and analytical approach. J. Stat. Mech. (2016) 093210

Hordijk W, Steel M. 2016. Autocatalytic sets in polymer networks with variable catalysis distributions. Journal of Mathematical Chemistry. 1-25.

Liens S, Koop BF, Sandve SR, Miller JR, Kent MP, Nome T, Hvidsten TR, Leong JS, Minkley DR, Zimin A, Grammes F, Grove H, Gjuvsland A, Walenz B, Hermansen RA, von Shalburg K, Rondeau EB, Di Genova A, Samy JK, Olav Vik J, Vigeland MD, Caler L, Grimholt U, Jentoft S, Inge Vage D, de Jong P, Moen T, Baranski M, Palti Y, Smith DR, Jorke JA, Nederbragt AJ, Tooming-Klunderud A, Jacobsen KS, Jiang X, Fan D, Hu Y, Liberles DA, Vidal R, Iturra P, Jones SJ, Jonassen I, Maass A, Omholt SW, Davidson WS. 2016.  The Atlantic salmon genome provides insights into rediploidization. Nature. 17164.

Liz D, Manfredi A, Madeiros M, Montecinos R, Gómez-Gónzalez B, Garcia-Rio L, Nome F. 2016. Supramolecular phosphate transfer catalysis by pillar[5]arene. Chem. Commun. 52, 3167-317.

Martin A.J.M, Dominguez C, Contreras-Riquelme S, Holmes D, Pérez-Acle T. 2016. Graphlet Based Metrics for the Comparison of Gene Regulatory Networks. PLoS ONE 11(10): e0163497

Martin A, Suazo M. 2016. Many-Body GW investigation of the Te antisite in CdTe. J. Phys. Chem. c 120.

Martín-Rodríguez A, Aravena D, Ruíz D. 2016. DFT approaches to transport calculations in magnetic single‑molecule devices. Thor Chem Acc. 135:192.

Mediavilla DG, Sepúlveda H. 2016. Nearshore assessment of wave energy resources in central Chile (2009–2010). Renewable Energy 9, 136-144.

Montero-Alejo A, Menéndez- Proupin E, Hidalgo-Rojas D, Palacios P, Wahnón P, Conesa JC. 2016. Modeling of Thermal Effect on the Electronic Properties of Photovoltaic PerovskiteCH3NH3PbI3: The Case of Tetragonal Phase. J. Phys. Chem. C 120, 7976-7968.

Muñoz-Espinoza C, Di Genova A, Correa J, Silva R, Maass A, Gonzalez Aguero M, Orellana A, Hinrichsen P. 2016. Transcriptome profiling of grapevine seedless segregants during berry development reveals candidate genes associated with berry weight. BMC Plant Biology. 16:104.

Niklitschek E, Darnaude A. 2016. Performance of finite mixture distribution models to estimate nursery habitat contributions to fish stocks. Peer J Preprints. DOI

Niklitschek E, Darnaude A. 2016. Performance of maximum likelihood mixture models to estimate nursery habitat contributions to fish stocks: a case study on sea bream Sparus aurata. PeerJ. 4:e2415

Paulpandi Q, Ramasami S, Paulraj M, Díaz-Bañoz F, Villora G, Cerón-Carrasco J, Pérez-Sánchez H, Vijayan Enoch I. 2016. Enhanced Zn2+ ion-sensing behavior of a benzothiazole derivative on encapsulation by bcyclodextrin. RSC Adv. 6, 15670-15677.

Pérez-Sánchez H, Peña-García J, den-Haan H, Rodríguez-Schmidt R, Cerón- Carrasco J. Raposo A, Bouarkat M, Sabeur S, Díaz-Baños F. 2016. HYDROWEB, an Online Tool for the Calculation of Hydrodynamic Properties of Macromolecules. Bioinformatics and Biomedical Engineering 9656, 82-90.

Périnet N, Falcón C, Chergui J, Juric D, Shin S. 2016. Hysteretic Faraday waves. Phys. Rev. E 93, 063114

Prieto J, Escala A. 2016. Multiscale mass transport in z∼6 galactic discs: fuelingblack holes. Monthly Notice of the Royal Astronomy Society (MNRAS) 10.1093/mnras/stw1285

Ruiz-Fernández A, López-Cascales J, Giner-Casares J, Araya-Maturana R, Díaz-Baños F, Muñoz-Gacitúa D, Weiss-López B. 2016. Effect of shape and bending modulus on the properties of nematic lyotropic liquid crystals. RSC Adv. 6, 7455-7464.

Stalevski M, Ricci C, Ueda Y, Lira P, Fritz J, Baez M. 2016. The dust covering factor in active galactic nuclei. Monthly Notices of the Royal Astronomical Society. 458 (3):2288-2302.

Schmidt I, Siddikov M. 2016. Production of pentaquarks in pA-collisions. Physical Review D. 93, 094005-13

Solar R, Gil-Costa V, Marín M. 2016. Evaluation of Static/Dynamic Cache for Similarity Search Engines. SOFSEM 2016: Theory and Practice of Computer Science. 9587, 615-627.

Osorio E, Ferraro F, Hadad C.Z, Rabanal León W, Tiznado W. 2016. Insights on the structural and electronic properties of ScCn+, YCn+, LaCn+ (n = 3–6) systems. Theor Chem Acc (2016) 135: 212.

Vasco-Calle DA, Chen D, Acevedo-Cabello J. 2016. Computational simulation of laminar heat convection of nanofluids in a circular tube and squared duct. Revista DYNA, (196) 113-118

Venthur H, Zhou J, Mutis A, Ceballos R, Mella-Herrera R, Larama G, Avila A, Iturriaga-Vásquez P, Faundez-Parraguez M, Alvear M, Quiroz A. 2016. Etimological Science, (19) 3: 188-200


Amaya J, Peeters D, Uribe P, Valenzuela J. 2015.Optimization Modeling for Resource Allocation in the Chilean Public Education System. International Regional Science Review 1-22.

Casassus S, Wright C, Marino S, Maddison S, Wootten A, Román P, Pérez S, Pinilla P, Wyatt M, Moral V, Ménard F, Christiaens V, Cieza L, van der Gerrit P. 2015. A Compact Concentration of Large Grains in the HD 142527 Protoplanetary Dust Trap. The Astrophysical Journal, 812:126 (14pp).

Cerón-Carrasco J, den-Haan H, Peña-García J, Contreras-García J, Pérez-Sánchez H. 2015. Exploiting the cyclodextrins ability for antioxidants encapsulation: a computational approach to carnosol and carnosic acid embedding. Computational and Theoretical Chemistry En Prensa, Manuscrito Aceptado.

Escalona Y, Gárate J, Pérez-Acle T. 2015. Exploring the membrane potential of a simple dual membrane system by using a constant electric field. BMC Bioinformatics 16(Suppl 8):A5.

Lebrecht W, Vogel E, Valdés A, Ramírez Pastor A, Centres P, González M, Nieto F. 2015. Site trimer percolation on square lattices. Physical Review E 92,012129.

Levin E, Lipatov L, Siddikov M. 2015. Semiclassical solution to the BFKL equation with massive gluons. The European Physical Journal, 75:558

Hermosilla-Ibáñez P, Muñoz Becerra K, Paredes-García V, Le Fur E, Spodine E, Venegas-Yazigi D. 2015. Structural and Electronic Properties of Polyoxovanadoborates Containing the [V12B18O60] Core in Different Mixed Valence States. Inorganics 3, 309-331.

Muñoz-Becerra K, Hermosilla-Ibañez P, Le Fur E, Cador O, Paredes-García V, Spodine E, Venegas-Yazigi D. 2015. First Non-Centrosymmetric Deca-Vanadoborate with Borate Vacancies, Self-Assembled around a 1,3-Propanediammonium Cation. Crystal Growth Design 6, 2561-2564.

Mejía-Cortés C, Molina M. 2015. Interplay of disorder and PT symmetry in one-dimensional optical lattices. Physical Review A  91,033815.

Naether U, Mejía-Cortés C, Vicencio R. 2015. Pseudo-two-dimensional random dimer lattices. Physics Letters A 379, 988–991.

Péredo O, Ortíz J, Leuangthong O. 2015. Inverse Modelling Of Moving Average Isotropic Kernels For Non-Parametric Three-Dimensional Gaussian Simulation. Mathematical Geosciences  special issue 1,21.

Kroeger D, Cisternas E, Correa J. 2015. Bilayer graphene films over Ru (0001) surface: Ab-initio calculations and STM images simulation. Surface Science 634, 31-36.

Ramírez-Sarmiento C, Noel J, Valenzuela S, Artsimovich I. 2015. Interdomain Contacts Control Native State Switching of RfaH on a Dual-Funneled Landscape. PLOS Computational Biology 11 (7).

Rodríguez P, Rivara M. 2015. Multithread Lepp-bisection algorithms in 2-dimensions. Proceedings of the 22° International Meshing Roundtable 906, 525-540.

Ulloa H, Winters K, De la Fuente A, Niño Y. 2015. Degeneration of internal Kelvin waves in a continuous two-layer stratification. Journal of Fluid Mechanics 777, 68-96.

Venegas Yazigi D, Spodine E, Saldias M, Vega A, Paredes-García V, Calvo R, Costa de Santana R. 2015. 1D Magnetic Interactions in CuII Oxovanadium Phosphates (VPO), Magnetic Susceptibility, DFT, and Single-Crystal EPR. Inorganic Chemistry 54 (8) 3805-3814.

Vasco D, Zambra C, Moraga N. 2015. Numerical simulation of conjugate forced turbulent heat convection with induced natural laminar convection in a 2D inner cavity. International Journal of Thermal Sciences 87, 121-135.


Abarca F, Gutierrez-Maldonado SE, Parada P, Martinez P, Maass A, Perez-Acle T. 2014. Insights on the structure and stability of Licanantase: a trimeric acid-stable coiled-coil lipoprotein from Acidithiobacillus thiooxidans. PeerJ 2, e457.

Araya-Secchi R, Perez-Acle T, Kang S-G, et al. 2014. Characterization of a novel water pocket inside the human cx26 hemichannel structure. Biophysical journal 107, 599–612.

Becerra F, Escala A. 2014. The interstellar medium and star formation in local galaxies: variations of the star formation law in simulations. The Astrophysical Journal 786, 56.

Borisova NE, Kostin A, Magdesieva T V., et al. 2014. Solvent switchable CuII complexes. New Journal of Chemistry 38, 709.

Cañon-Mancisidor W, Gómez-García CJ, Espallargas GM, Vega A, Spodine E, Venegas-Yazigi D, Coronado E. 2014. Structural re-arrangement in two hexanuclear CuII complexes: from a spin frustrated trigonal prism to a strongly coupled antiferromagnetic soluble ring complex with a porous tubular structure. Chemical Science 5, 324.

Catalán M, Cisternas E, González P, Vásquez Y. 2014. Dirac quasinormal modes for a 4-dimensional Lifshitz black hole. The European Physical Journal C 74:2813.

Cecilia JM, García JM, Guerrero GD, Ujaldón M. 2014. Evaluating the SAT problem on P systems for different high-performance architectures. Journal of Supercomputing 69, 248–272.

Di Genova A, Almeida AM, Muñoz-Espinoza C, Vizoso P, Travisany D, Moraga C, Pinto M, Hinrichsen P, Orellana A, Maass A. 2014. Whole genome comparison between table and wine grapes reveals a comprehensive catalog of structural variants. BMC plant biology 14, 7.

Flores F, Garreaud R, Muñoz RC. 2014. OpenFOAM applied to the CFD simulation of turbulent buoyant atmospheric flows and pollutant dispersion inside large open pit mines under intense insolation. Computers and Fluids 90, 72–87.

González PM, Lagos CF, Ward WC, Polli JE. 2014. Structural requirements of the human sodium-dependent bile acid transporter (hASBT): Role of 3- and 7-OH moieties on binding and translocation of bile acids. Molecular Pharmaceutics 11, 588–598.

Hodar C, Zuñiga A, Pulgar R, Travisany D, Chacon C, Pino M, Maass A, Cambiazo V. 2014. Comparative gene expression analysis of Dtg, a novel target gene of Dpp signaling pathway in the early Drosophilia melanogaster embryo. Gene 535, 210-217.

Fustos I, Abarca-del-Rio R, Ávila A, Orrego R. 2014. A simple logistic model to understand the occurrence of flood events into the Bío-Bío river basin in central Chile. Journal of Flood Risk Management 51-83.

Guerrero GD, Cecilia JM, Llanes A, García JM, Amos M, Ujaldón M. 2014a. Comparative evaluation of platforms for parallel Ant Colony Optimization. The Journal of Supercomputing 69, 318–329.

Guerrero GD, Imbernón B, Pérez-Sánchez H, Sanz F, García JM, Cecilia JM. 2014.  A Performance/Cost Evaluation for a GPU-Based Drug Discovery Application on Volunteer Computing. BioMed Research International Article 474219, 8 pages.

Guerrero GD, Wallace RM, Vázquez-Poletti JL, Cecilia JM, García JM, Mozos D, Pérez-Sánchez H. 2014b. A performance/cost model for a CUDA drug discovery application on physical and public cloud infrastructures. Concurrency and Computation: Practice and Experience 26, 1787–1798.

Hermosilla-Ibáñez P, Cañon-Mancisidor W, Costamagna J, Vega A, Paredes-García V, Garland MT, Le Fur E, Cador O, Spodine E, Venegas-Yazigi D. 2014. Crystal lattice effect on the quenching of the intracluster magnetic interaction in [V12B18O60H6](10-) polyoxometalate. Dalton transactions 43, 14132–14141.

Lagos LM, Navarrete OU, Maruyama F, Crowley DE, Cid FP, Mora ML, Jorquera MA. 2014. Bacterial community structures in rhizosphere microsites of ryegrass (Lolium perenne var. Nui) as revealed by pyrosequencing. Biology and Fertility of Soils 50,1141-1153.

Orrego R, Ávila A, Meza F, Matus F. 2014. Using a crop simulation model to select the optimal climate grid cell resolution: A study case in Araucanía Region. Journal of soil science and plant nutrition 14, 407–420.

Paredes-Garcia V, Cruz C, Toledo N, Denardin J, Venegas-Yazigi D, Castillo C, Spodine E, Luo Z. 2014. Effect of the Different Synthetic Parameters on the Morphology and Magnetic Properties of Nickel Nanoparticles. The Journal of Chemistry 38, 837-844.

Navarro F, González C, Peredo Ó, Morales G, Egaña Á, Ortíz J. 2014. A flexible strategy for Distributed and Parallel Execution of a monolithic Large Scale Sequential Application. High Performance Computing 485, 54-67.

Suazo-Martínez C, Pereira-Bonvallet E, Palma-Behnke R. 2014. A Simulation Framework for Optimal Energy Storage Sizing. Energies 7 (5).

Travisany D, Cortes MP, Latorre M, Di Genova A, Budinich M, Bobadilla-Fazzini RA, Parada P, González M, Maass A. 2014. A new genome of Acidithiobacillus thiooxidans provides insights into adaptation to a bioleaching environment. Res Microbiol 165(9):743-52.

Wachter J, Gutiérerz G, Zuñiga A, Palma R. 2014. Buckling of Cu-Zr-based metallic glasses nanowires: Molecular dynamics study of surface effects. J Mater Sci 49:8051–8056


Escala A, Becerra F, Del Valle L, Castillo E. 2013. Gravitational Fragmentation in Galaxy Mergers: A Stability Criteria. The Astrophysical Journal 763, 39.

Baez M, Cabrera R, Pereira HM, Blanco A, Villalobos P, Ramírez-Sarmiento CA, Caniuguir A, Guixé V, Garratt RC, Babul J. 2013. A Ribokinase family conserved monovalent cation binding site enhances the MgATP-induced inhibition in E. coli phosphofructokinase-2. Biophysical Journal 105, 185–193.

Cañon-Mancisidor W, Spodine E, Paredes-Garcia V, Venegas-Yazigi D. 2013. Theoretical description of the magnetic properties of μ3-hydroxo bridged trinuclear copper(II) complexes. Journal of molecular modeling 19, 2835–2844.

Cisternas E, Vogel EE. 2013. Stability of Ferromagnetic Patterns Inscribed on Arrays of Multisegmented Magnetic Nanocylinders. IEEE Transactions on Magnetics 49, 4703–4706.

Del Valle L, Escala A. 2013. Binary Disk interaction II: Gap-Opening criteria for unequal mass binaries. The Astrophysical Journal 780, 84.

Flores M, Cisternas E, Correa JD, Vargas P. 2013a. Moiré patterns on STM images of graphite induced by rotations of surface and subsurface layers. Chemical Physics 423, 49–54.

Flores F, Garreaud R, Muñoz RC. 2013b. CFD simulations of turbulent buoyant atmospheric flows over complex geometry: Solver development in OpenFOAM. Computers and Fluids 82, 1–13.

Giri S, Lund F, Núñez AS, Toro-Labbé A. 2013. Can Starlike C 6 Li 6 be Treated as a Potential H 2 Storage Material? The Journal of Physical Chemistry C 117, 5544–5551.

Guzmán-Lastra F, Soto R. 2013. Subdiffusive behavior of a dilute non-Brownian suspension under shear. Physical Review E 87, 042311.

Hernández G, Plaza R, Salinas L. 2013. Heuristic quadratic approximation for the universality theorem. Cluster Computing 17, 281–289.

Miño G, Baez M, Gutierrez G. 2013. Effect of mutation at the interface of Trp-repressor dimeric protein: A steered molecular dynamics simulation. European Biophysics Journal 42, 683–690.

Paredes-García V, Rojas I, Madrid R, Vega A, Navarro-Moratalla E, Cañón-Mancisidor W, Spodine E, Venegas-Yazigi D. 2013. Structural and magnetic characterization of the tridimensional network [Fe(HCO2)3]n·nHCO2H. New Journal of Chemistry 37, 2120.

Suazo-Martínez C, Pereira-Bonvallet E, Palma-Behnke R, Xiao-Ping Z. 2013. Impacts of Energy Storage on Short Term Operation Planning Under Centralized Spot Markets. Smart Grid 5(2), 1110-1118.

Venegas-Yazigi D, Muñoz K, Saldías M, Valdés de la Barra K, Vega A, Paredes-García V, Gómez-García CJ, Le Fur E, Cañón-Mancisidor W, Spodine E. 2013. Magnetic properties of vanadium(IV)-based extended systems: [(VO)3(μ-PO4)2(2,2′-bpy)(μ-OH2)]·1/3H2O and (VO)2H4P2O9. Inorganica Chimica Acta 395, 176–180.


Hernandez G, Leon R, Salinas L, Dimnet E. 2012. A fragmentation model with neighborhood interaction. Applied Mathematical Modelling 36, 1694–1702.

Lagos CF, Araya-Secchi R, Thomas P, Pérez-Acle T, Tapia RA, Salas CO. 2012. Molecular modeling of Trypanosoma cruzi glutamate cysteine ligase and investigation of its interactions with glutathione. Journal of Molecular Modeling 18, 2055–2064.

Nuñez F, Ravello C, Urbina H, Perez-Acle T. 2012. A Rule-based Model of a Hypothetical Zombie Outbreak: Insights on the role of emotional factors during behavioral adaptation of an artificial population. 1210.4469, 1–20.

Saldias M, Paredes-Garcia V, Vega A, Cañon-Mancisidor W, Le Fur E, Venegas-Yazigi D, Spodine E. 2012. One dimensional inorganic oxovanadium polymers functionalized with manganese(II) complexes: Structural and magnetic characterization. Polyhedron 41, 120–126.

Del Valle L, Escala A. 2012. Binary-disk interaction: Gap-Opening criteria. The Astrophysical Journal 761, 31.

Travisany D, Di Genova A, Sepúlveda A, Bobadilla-Fazzini R, Parada P, Maass A. 2015. Draft Genome Sequence of the sulfobacillus thermosulfidooxidans Cutipay Strain, an Indigenous Bacterium Isolated from a Naturally Extreme Mining Environment in Northern Chile. Journal of Bacteriology 194, 6327-6328.


Araya-Secchi R, Garate J, Holmes DS, Perez-Acle T. 2011. Molecular dynamics study of the archaeal aquaporin AqpM. BMC Genomics 12, S8.

Villanelo F, Ordenes A, Brunet J, Lagos R, Monasterio O. 2011. A model for the Escherichia coli FtsB/FtsL/FtsQ cell division complex. BMC structural biology 11, 28.

Xu X, Pan S, Cheng S, et al. 2011. Genome sequence and analysis of the tuber crop potato. Nature 475, 189–95.