Literatura académica sobre el tema "Interaction functionals"
Crea una cita precisa en los estilos APA, MLA, Chicago, Harvard y otros
Consulte las listas temáticas de artículos, libros, tesis, actas de conferencias y otras fuentes académicas sobre el tema "Interaction functionals".
Junto a cada fuente en la lista de referencias hay un botón "Agregar a la bibliografía". Pulsa este botón, y generaremos automáticamente la referencia bibliográfica para la obra elegida en el estilo de cita que necesites: APA, MLA, Harvard, Vancouver, Chicago, etc.
También puede descargar el texto completo de la publicación académica en formato pdf y leer en línea su resumen siempre que esté disponible en los metadatos.
Artículos de revistas sobre el tema "Interaction functionals"
Carrillo, J. A., M. G. Delgadino y F. S. Patacchini. "Existence of ground states for aggregation-diffusion equations". Analysis and Applications 17, n.º 03 (mayo de 2019): 393–423. http://dx.doi.org/10.1142/s0219530518500276.
Texto completoStein, Frederick, Jürg Hutter y Vladimir V. Rybkin. "Double-Hybrid DFT Functionals for the Condensed Phase: Gaussian and Plane Waves Implementation and Evaluation". Molecules 25, n.º 21 (6 de noviembre de 2020): 5174. http://dx.doi.org/10.3390/molecules25215174.
Texto completoVRETENAR, D., T. NIKŠIĆ y P. RING. "RELATIVISTIC NUCLEAR ENERGY DENSITY FUNCTIONALS". International Journal of Modern Physics E 19, n.º 04 (abril de 2010): 548–57. http://dx.doi.org/10.1142/s0218301310014960.
Texto completoGedeon, Johannes, Jonathan Schmidt, Matthew J. P. Hodgson, Jack Wetherell, Carlos L. Benavides-Riveros y Miguel A. L. Marques. "Machine learning the derivative discontinuity of density-functional theory". Machine Learning: Science and Technology 3, n.º 1 (15 de diciembre de 2021): 015011. http://dx.doi.org/10.1088/2632-2153/ac3149.
Texto completoNachtigallová, Dana, Markéta Davidová y Petr Nachtigall. "Reliability of DFT Methods for Description of Cu Sites and Their Interaction with NO in Zeolites". Collection of Czechoslovak Chemical Communications 63, n.º 8 (1998): 1202–12. http://dx.doi.org/10.1135/cccc19981202.
Texto completoKendall, W. S., M. N. M. van Lieshout y A. J. Baddeley. "Quermass-interaction processes: conditions for stability". Advances in Applied Probability 31, n.º 2 (junio de 1999): 315–42. http://dx.doi.org/10.1239/aap/1029955137.
Texto completoKendall, W. S., M. N. M. van Lieshout y A. J. Baddeley. "Quermass-interaction processes: conditions for stability". Advances in Applied Probability 31, n.º 02 (junio de 1999): 315–42. http://dx.doi.org/10.1017/s0001867800009137.
Texto completoSavin, Andreas y Heinz-J�rgen Flad. "Density functionals for the Yukawa electron-electron interaction". International Journal of Quantum Chemistry 56, n.º 4 (15 de noviembre de 1995): 327–32. http://dx.doi.org/10.1002/qua.560560417.
Texto completoOntaneda, Jorge, Francesc Viñes, Francesc Illas y Ricardo Grau-Crespo. "Double-well potential energy surface in the interaction between h-BN and Ni(111)". Physical Chemistry Chemical Physics 21, n.º 21 (2019): 10888–94. http://dx.doi.org/10.1039/c8cp07880g.
Texto completoALMBLADH, C. O., U. VON BARTH y R. VAN LEEUWEN. "VARIATIONAL TOTAL ENERGIES FROM Φ- AND Ψ- DERIVABLE THEORIES". International Journal of Modern Physics B 13, n.º 05n06 (10 de marzo de 1999): 535–41. http://dx.doi.org/10.1142/s0217979299000436.
Texto completoTesis sobre el tema "Interaction functionals"
Modena, Stefano. "Interaction functionals, Glimm approximations and Lagrangian structure of BV solutions for Hyperbolic Systems of Conservation Laws". Doctoral thesis, SISSA, 2015. http://hdl.handle.net/20.500.11767/4873.
Texto completoBerendsen, Judith [Verfasser], Jan-Frederik [Akademischer Betreuer] Pietschmann y Marie-Therese [Gutachter] Wolfram. "Cross Diffusion and Nonlocal Interaction : Some Results on Energy Functionals and PDE Systems / Judith Berendsen ; Gutachter: Marie-Therese Wolfram ; Betreuer: Jan-Frederik Pietschmann". Chemnitz : Technische Universität Chemnitz, 2020. http://d-nb.info/1219664774/34.
Texto completoDeininger, Katrin. "Molecular and functional interaction of Ras/Rab interactor 1 and EphA4 receptor". Diss., lmu, 2007. http://nbn-resolving.de/urn:nbn:de:bvb:19-65466.
Texto completoCaufield, J. Harry. "Interactomics-Based Functional Analysis: Using Interaction Conservation To Probe Bacterial Protein Functions". VCU Scholars Compass, 2016. http://scholarscompass.vcu.edu/etd/4580.
Texto completoBento, Marsal Eduardo. "Funcionais orbitais: investigação de estratégias de implementação no contexto da formulação Kohn-Sham da Teoria do Funcional da Densidade". Universidade do Estado de Santa Catarina, 2014. http://tede.udesc.br/handle/handle/1986.
Texto completoCoordenação de Aperfeiçoamento de Pessoal de Nível Superior
The development of Density Functional Theory (DFT) has been focused primarily on two main pillars: (1) the pursuit of more accurate exchange-correlation (XC) density functionals; (2) the feasibility of computational implementation when dealing with many-body systems. In this context, this work is aimed on using one-dimensional quantum systems as theoretical laboratories to investigate the implementation of orbital functionals (OFs) of density. By definition, OFs are those which depend only implicitly on the density, via an explicit formulation in terms of Kohn-Sham orbitals. Typical examples are the XC functionals arising from the Perdew-Zunger self-interaction correction (PZSIC). Formally, via Kohn-Sham equations, the implementation of OFs must be performed by means of the optimized effective potential method (OEP), which is known by requiring an excessive computational effort even when dealing with few electrons systems (N ̴ 10). Here, we proceed a systematical investigation aiming to simplify or avoid the OEP procedure, taking as reference the implementation of the PZSIC correction applied to one-dimensional Hubbard chains.
O desenvolvimento da Teoria do Funcional da Densidade (DFT) tem se concentrado, sobretudo, em dois pilares fundamentais: (1) a busca por funcionais de troca e correlação (XC) mais precisos; (2) a viabilidade de implementação computacional diante de sistemas com muitos elétrons. Nesse contexto, o objetivo principal deste trabalho consiste em utilizar sistemas quânticos unidimensionais, mais simples de serem tratados numericamente, como laboratórios teóricos para o desenvolvimento de alternativas de implementação numérica de funcionais orbitais (OFs) da densidade. Por definição, OFs são todos aqueles que dependem apenas implicitamente da densidade, via formulação explícita em termos dos orbitais Kohn-Sham. Exemplos típicos são os funcionais XC advindos da correção de auto-interação de Perdew e Zunger (PZSIC). Formalmente, via equações de Kohn-Sham, a implementação de OFs deve ser procedida por meio do método do potencial efetivo otimizado (OEP) que, no contexto computacional, é conhecido por se tornar demasiadamente custoso, inclusive para sistemas com poucos elétrons (N ̴ 10). Sendo assim, investigamos, de forma sistemática, alternativas de simplificar ou evitar o procedimento OEP, tomando como referência a implementação da correção PZSIC aplicada a cadeias de Hubbard unidimensionais.
Akkoyun, Emrah. "Parallelization Of Functional Flow To Predict Protein Functions". Master's thesis, METU, 2011. http://etd.lib.metu.edu.tr/upload/12612932/index.pdf.
Texto completothe first map/reduce job distributes the protein interaction network as a format which allows parallel distributed computing to all the worker nodes, the other map/reduce job generates flows for each known protein function and the role of the proteins unidentified are predicted by accumulating all of these generated flows. It has been observed in the experiments we performed that the application requiring high performance computing can be decomposed into worker nodes efficiently and the application can provide better performance as the resources increase.
Grap, Stephan Michael [Verfasser]. "The functional renormalization group for interacting quantum systems with spin-orbit interaction / Stephan Michael Grap". Aachen : Hochschulbibliothek der Rheinisch-Westfälischen Technischen Hochschule Aachen, 2013. http://d-nb.info/1038602432/34.
Texto completoPerera, Roland. "Interactive functional programming". Thesis, University of Birmingham, 2013. http://etheses.bham.ac.uk//id/eprint/4209/.
Texto completoRadford, Johanne Amble. "Communicating Banking Values Through Interactions- Investigating the communicative functions of interaction attributes within the banking sector". Thesis, Malmö universitet, Fakulteten för kultur och samhälle (KS), 2018. http://urn.kb.se/resolve?urn=urn:nbn:se:mau:diva-21660.
Texto completoVieira, Daniel. "Correções de auto-interação na teoria do funcional da densidade: investigação em modelos de sistemas de muitos corpos". Universidade de São Paulo, 2010. http://www.teses.usp.br/teses/disponiveis/76/76131/tde-23042010-101040/.
Texto completoIn this work we use model systems to develop, implement and analyse orbital-dependent density functionals, focusing, specifically, on the self-interaction corrections (SICs) of Perdew and Zunger (PZSIC) and of Lundin and Eriksson (LESIC). These self-interaction corrections are applied to the local-density approximation (LDA) for the one-dimensional Hubbard model and for semiconductor quantum wells, in one-dimensional static and time-dependent situations. For the one-dimensional Hubbard model we compare LDA, LDA+PZSIC and LDA+LESIC, and investigate the performance of these approaches for ground-state energies, densities and energy gaps, with and without impurities in the system. We also consider the case of fractional charges, where a connection to the delocalization error of the LDA can be made. We show that in principle a correct description of the frequences of Friedel oscillations in the Hubbard model can be obtained from DFT, and investigate how the failure of the LDA in reproducing this is related to the selfinteraction and delocalization errors. Moreover, we investigate different procedures for the selfconsistent implementation of any orbital-dependent functional, and analyse the question of the interplay between an approximate functional and its approximate implementation. For quantum wells sytems we analyse, in a time-dependent framework, the discontinuity of the exchange-correlation potential under variation of the particle number in two different processes: the ionization of a simple quantum well and the dissociation of an asymmetric double well. In the latter case, we also consider the effect of changes in the particle number in each subwell, thus revealing the mechanism that restores electric neutrality during dissociation, with correct final charge.
Libros sobre el tema "Interaction functionals"
Goedecker, S. A critical assessment of the self-interaction corrected local density functional method and its algorithmic implementation. Ithaca, N.Y: Cornell Theory Center, Cornell University, 1996.
Buscar texto completoHannay, Mike y A. Machtelt Bolkestein, eds. Functional Grammar and Verbal Interaction. Amsterdam: John Benjamins Publishing Company, 1998. http://dx.doi.org/10.1075/slcs.44.
Texto completoMichael, Hannay y Bolkestein A. Machtelt, eds. Functional grammar and verbal interaction. Amsterdam: J. Benjamin Pub., 1998.
Buscar texto completoMaruyama, Yukio, Masatsugu Hori y Joseph S. Janicki, eds. Cardiac-Vascular Remodeling and Functional Interaction. Tokyo: Springer Japan, 1997. http://dx.doi.org/10.1007/978-4-431-67041-4.
Texto completo1941-, Maruyama Yukio, Hori M. 1945- y Janicki Joseph S, eds. Cardiac-vascular remodeling and functional interaction. Tokyo: Springer, 1997.
Buscar texto completo1945-, Hori M., Janicki Joseph S y Maruyama Yukio 1941-, eds. Cardiac-vascular remodeling and functional interaction. Tokyo: Springer, 1997.
Buscar texto completoMougi, Akihiko, ed. Diversity of Functional Traits and Interactions. Singapore: Springer Singapore, 2020. http://dx.doi.org/10.1007/978-981-15-7953-0.
Texto completoWilliam, Hutchens T., Lönnerdal Bo 1938- y International Symposium on Lactoferrin: Interactions and Biological Functions (2nd : 1995 : Honolulu, Hawaii), eds. Lactoferrin: Interactions and biological functions. Totowa, N.J: Humana Press, 1997.
Buscar texto completoK, Messmer, ed. Capillary functions and white cell interaction. Basel: Karger, 1991.
Buscar texto completoNomura, Kosuke. Interacting Boson Model from Energy Density Functionals. Tokyo: Springer Japan, 2013. http://dx.doi.org/10.1007/978-4-431-54234-6.
Texto completoCapítulos de libros sobre el tema "Interaction functionals"
Cerón-Carrasco, José P., Alberto Requena y Denis Jacquemin. "Impact of DFT functionals on the predicted magnesium–DNA interaction: an ONIOM study". En Vincenzo Barone, 271–79. Berlin, Heidelberg: Springer Berlin Heidelberg, 2012. http://dx.doi.org/10.1007/978-3-642-34462-6_27.
Texto completoGrabovsky, Andrey. "Functional Integration". En Introduction to Strong Interactions, 71–98. Boca Raton: CRC Press, 2022. http://dx.doi.org/10.1201/9781003272403-3.
Texto completoDandekar, Thomas y Kishor Sharma. "Functional RNA Interactions". En Regulatory RNA, 133–63. Berlin, Heidelberg: Springer Berlin Heidelberg, 1998. http://dx.doi.org/10.1007/978-3-642-97993-4_5.
Texto completoDandekar, Thomas. "Functional RNA Interactions". En RNA Motifs and Regulatory Elements, 111–37. Berlin, Heidelberg: Springer Berlin Heidelberg, 2002. http://dx.doi.org/10.1007/978-3-642-56298-3_5.
Texto completoPavelka, Margit y Jürgen Roth. "Selectin — Ligand-Mediated Cell-Cell Interaction". En Functional Ultrastructure, 174–75. Vienna: Springer Vienna, 2010. http://dx.doi.org/10.1007/978-3-211-99390-3_91.
Texto completoGoto, Yoichi. "Intraventricular Interaction". En Cardiac-Vascular Remodeling and Functional Interaction, 105–13. Tokyo: Springer Japan, 1997. http://dx.doi.org/10.1007/978-4-431-67041-4_9.
Texto completoHaven, Emmanuel. "Financial Payoff Functions and Potentials". En Quantum Interaction, 189–95. Cham: Springer International Publishing, 2015. http://dx.doi.org/10.1007/978-3-319-15931-7_15.
Texto completoArai, Mary N. "Biological interactions". En A Functional Biology of Scyphozoa, 203–23. Dordrecht: Springer Netherlands, 1997. http://dx.doi.org/10.1007/978-94-009-1497-1_9.
Texto completoCarrino, Stefano, Maurizio Caon, Omar Abou Khaled, Rolf Ingold y Elena Mugellini. "Functional Gestures for Human-Environment Interaction". En Human-Computer Interaction. Interaction Modalities and Techniques, 167–76. Berlin, Heidelberg: Springer Berlin Heidelberg, 2013. http://dx.doi.org/10.1007/978-3-642-39330-3_18.
Texto completoNipkow, Tobias. "Automatic Functional Correctness Proofs for Functional Search Trees". En Interactive Theorem Proving, 307–22. Cham: Springer International Publishing, 2016. http://dx.doi.org/10.1007/978-3-319-43144-4_19.
Texto completoActas de conferencias sobre el tema "Interaction functionals"
Kaya, Heysem, Oxana Verkholyak, Maxim Markitantov y Alexey Karpov. "Combining Clustering and Functionals based Acoustic Feature Representations for Classification of Baby Sounds". En ICMI '20: INTERNATIONAL CONFERENCE ON MULTIMODAL INTERACTION. New York, NY, USA: ACM, 2020. http://dx.doi.org/10.1145/3395035.3425182.
Texto completoUpadhyay, S. K. "Coulomb Drag Study of Non-Homogeneous Dielectric Medium: Hole-Hole Static Interactions in 2D-GaAs DQW". En Functional Materials and Applied Physics. Materials Research Forum LLC, 2022. http://dx.doi.org/10.21741/9781644901878-1.
Texto completoLuu, Thu Huong, Christian Altenhofen, André Stork y Dieter Fellner. "GraMMaCAD: Interactively Defining Spatially Varying FGMs on BRep CAD Models". En ASME 2022 International Design Engineering Technical Conferences and Computers and Information in Engineering Conference. American Society of Mechanical Engineers, 2022. http://dx.doi.org/10.1115/detc2022-89552.
Texto completoSherafati, M. y S. Satpathy. "On the Ruderman-Kittel-Kasuya-Yosida interaction in graphene". En FUNCTIONAL MATERIALS: Proceedings of the International Workshop on Functional Materials (IWFM-2011). AIP, 2012. http://dx.doi.org/10.1063/1.4736868.
Texto completoHurmusiadis, Vassili, Simon Barrick y Chris Briscoe. "Interactive functional anatomy". En the SIGGRAPH 2003 conference. New York, New York, USA: ACM Press, 2003. http://dx.doi.org/10.1145/965400.965485.
Texto completoPoole, Alan y Anne Poole. "Functional Interactive Tatting". En TEI '16: Tenth International Conference on Tangible, Embedded, and Embodied Interaction. New York, NY, USA: ACM, 2016. http://dx.doi.org/10.1145/2839462.2856529.
Texto completoEremetova, Karina Y. "TRAINING ON THE INTERACTION OF CULTURES". En FUNCTIONAL ASPECTS OF INTERCULTURAL COMMUNICATION. TRANSLATION AND INTERPRETING ISSUES. Peoples' Friendship University of Russia, 2019. http://dx.doi.org/10.22363/2712-7974-2019-6-355-362.
Texto completoFoo, Jung Leng y Eliot Winer. "Interactive Multi-Modal Visualization Environment for Complex System Decision Making". En ASME 2008 International Design Engineering Technical Conferences and Computers and Information in Engineering Conference. ASMEDC, 2008. http://dx.doi.org/10.1115/detc2008-49805.
Texto completoSoria Zurita, Nicolás F., Melissa Anne Tensa, Vincenzo Ferrero, Robert B. Stone, Bryony DuPont, H. Onan Demirel y Irem Y. Tumer. "An Association Rule Approach for Identifying Physical System-User Interactions and Potential Human Errors Using a Design Repository". En ASME 2019 International Design Engineering Technical Conferences and Computers and Information in Engineering Conference. American Society of Mechanical Engineers, 2019. http://dx.doi.org/10.1115/detc2019-98424.
Texto completoKusiak, Andrew y Edward Szczerbicki. "A Formal Approach to Design Specifications". En ASME 1990 Design Technical Conferences. American Society of Mechanical Engineers, 1990. http://dx.doi.org/10.1115/detc1990-0038.
Texto completoInformes sobre el tema "Interaction functionals"
Zhenkun, Lou. Functional Analysis of Chk2-Kiaa0170 Interaction. Fort Belvoir, VA: Defense Technical Information Center, septiembre de 2005. http://dx.doi.org/10.21236/ada449840.
Texto completoLou, Zhenkun. Functional Analysis of Chk2-Kiaa0170 Interaction. Fort Belvoir, VA: Defense Technical Information Center, septiembre de 2004. http://dx.doi.org/10.21236/ada429482.
Texto completoRon, Eliora y Eugene Eugene Nester. Global functional genomics of plant cell transformation by agrobacterium. United States Department of Agriculture, marzo de 2009. http://dx.doi.org/10.32747/2009.7695860.bard.
Texto completoMatthews, Lisa, Guanming Wu, Robin Haw, Timothy Brunson, Nasim Sanati, Solomon Shorser, Deidre Beavers, Patrick Conley, Lincoln Stein y Peter D'Eustachio. Illuminating Dark Proteins using Reactome Pathways. Reactome, octubre de 2022. http://dx.doi.org/10.3180/poster/20221027matthews.
Texto completoZinenko, Olena. THE SPECIFICITY OF INTERACTION OF JOURNALISTS WITH THE PUBLIC IN COVERAGE OF PUBLIC EVENTS ON SOCIAL TOPICS. Ivan Franko National University of Lviv, febrero de 2021. http://dx.doi.org/10.30970/vjo.2021.49.11056.
Texto completoGafni, Yedidya y Vitaly Citovsky. Inactivation of SGS3 as Molecular Basis for RNA Silencing Suppression by TYLCV V2. United States Department of Agriculture, noviembre de 2013. http://dx.doi.org/10.32747/2013.7593402.bard.
Texto completoHeiden, Charles K., Robert Sever, Paul Smith y May Throne. Functional Test Example for Distributed Interactive Simulation. Fort Belvoir, VA: Defense Technical Information Center, febrero de 1996. http://dx.doi.org/10.21236/ada309129.
Texto completoChinnam, Meenalakshmi. Functional Interaction Between Rb and Thoc1 in Mouse Prostate Tumorigenesis. Fort Belvoir, VA: Defense Technical Information Center, mayo de 2010. http://dx.doi.org/10.21236/ada534931.
Texto completoChinnam, Meenalakshmi. Functional Interaction between Rb and Thoc1 in Mouse Prostate Tumorigenesis. Fort Belvoir, VA: Defense Technical Information Center, mayo de 2011. http://dx.doi.org/10.21236/ada548020.
Texto completoKomen, Stephen J. van. Functional Interactions of Human Rad54 with the Rad51 Recombinase. Fort Belvoir, VA: Defense Technical Information Center, mayo de 2002. http://dx.doi.org/10.21236/ada407443.
Texto completo