Journal: Computation

Volume 4, Issue 4

38 -- 0Atanas Atanasov, Benjamin Uekermann, Carlos Pachajoa, Hans-Joachim Bungartz, Philipp Neumann. Steady-State Anderson Accelerated Coupling of Lattice Boltzmann and Navier-Stokes Solvers
39 -- 0Simeone Marino, Denise E. Kirschner. A Multi-Compartment Hybrid Computational Model Predicts Key Roles for Dendritic Cells in Tuberculosis Infection
40 -- 0Karlheinz Schwarz, Lu J. Sham, Ann E. Mattsson, Matthias Scheffler. Obituary for Walter Kohn (1923-2016)
41 -- 0Konstantinos Kalaitzis, Evripidis Sotiriadis, Ioannis Papaefstathiou, Apostolos Dollas. Evaluation of External Memory Access Performance on a High-End FPGA Hybrid Computer
42 -- 0Sergei Pravdin. A Mathematical Spline-Based Model of Cardiac Left Ventricle Anatomy and Morphology
43 -- 0Mausumi Chattopadhyaya, Md. Mehboob Alam. A Theoretical Study of One- and Two-Photon Activity of D-Luciferin
44 -- 0Salem M. Osta-Omar, Christopher Micallef. Mathematical Model of a Lithium-Bromide/Water Absorption Refrigeration System Equipped with an Adiabatic Absorber
45 -- 0Ágnes Nagy, Karlheinz Schwarz. Special Issue "50th Anniversary of the Kohn-Sham Theory - Advances in Density Functional Theory"
46 -- 0Kazuhiro Yamamoto, Tatsuya Sakai. Effect of Pore Structure on Soot Deposition in Diesel Particulate Filter

Volume 4, Issue 3

23 -- 0Takao Tsuneda, Satoshi Maeda, Yu Harabuchi, Raman K. Singh. N2 Reactions
24 -- 0Markus Däne, Antonios Gonis. On the v-Representabilty Problem in Density Functional Theory: Application to Non-Interacting Systems
25 -- 0Karl Karu, Anton Ruzanov, Heigo Ers, Vladislav Ivanistsev, Isabel Lage-Estebanez, José Manuel García de la Vega. Predictions of Physicochemical Properties of Ionic Liquids with DFT
26 -- 0Fernanda Juarez, German Soldano, Elizabeth Santos, Hazar Guesmi, Frederik J. Tielens, Tzonka Mineva. Interaction of Hydrogen with Au Modified by Pd and Rh in View of Electrochemical Applications
27 -- 0Sebastian Kuckuk, Harald Köstler. Automatic Generation of Massively Parallel Codes from ExaSlang
28 -- 0Vitaly N. Glushkov, Mel Levy. Highly Excited States from a Time Independent Density Functional Method
29 -- 0Vadim D. Levchenko, Anastasia Perepelkina, Andrey Zakirov. DiamondTorre Algorithm for High-Performance Wave Modeling
30 -- 0Viraht Sahni, Xiaoyin Pan, Tao Yang. Electron Correlations in Local Effective Potential Theory
31 -- 0Zohreh Soleimani, John Kaiser Calautit, Ben Richard Hughes. Computational Analysis of Natural Ventilation Flows in Geodesic Dome Building in Hot Climates
32 -- 0Tatiana Petrova, Fedor Shugaev. Calculation of the Acoustic Spectrum of a Cylindrical Vortex in Viscous Heat-Conducting Gas Based on the Navier-Stokes Equations
33 -- 0Tobias Schmidt, Stephan Kümmel. d-Electrons
34 -- 0Shree Ram Acharya, Volodymyr Turkowski, Talat S. Rahman. Towards TDDFT for Strongly Correlated Materials
35 -- 0Alexander A. Danilov, Roman Pryamonosov, Alexandra S. Yurova. Image Segmentation for Cardiovascular Biomedical Applications at Different Scales
36 -- 0Yingyi Liu, Ying Gou, Bin Teng, Shigeo Yoshida. An Extremely Efficient Boundary Element Method for Wave Interaction with Long Cylindrical Structures Based on Free-Surface Green's Function
37 -- 0Paul M. Torrens. Computational Streetscapes

Volume 4, Issue 2

16 -- 0M. W. Chandre Dharma-wardana. T Density-Functional Theory and Warm-Correlated Matter †
17 -- 0Massimo Marino, Doriano Brogioli. Analytical Results on the Behavior of a Liquid Junction across a Porous Diaphragm or a Charged Porous Membrane between Two Solutions According to the Nernst-Planck Equation
18 -- 0Wen-Li Xie, Zheng-Ji Chen, Zeng Yao Li, Wen-Quan Tao. Grand Canonical Monte Carlo Simulation of Nitrogen Adsorption in a Silica Aerogel Model
19 -- 0Lucian A. Constantin, Eduardo Fabiano, Fabio Della Sala. Kinetic and Exchange Energy Densities near the Nucleus
20 -- 0Bartolomeo Civalleri, Roberto Dovesi, Pascal Pernot, Davide Presti, Andreas Savin. On the Use of Benchmarks for Multiple Properties
21 -- 0Chao-Zhong Qin, S. Majid Hassanizadeh, Lucas M. Van Oosterhout. Pore-Network Modeling of Water and Vapor Transport in the Micro Porous Layer and Gas Diffusion Layer of a Polymer Electrolyte Fuel Cell
22 -- 0Yalchin Efendiev, Eduardo Gildin, Yanfang Yang. Online Adaptive Local-Global Model Reduction for Flows in Heterogeneous Porous Media

Volume 4, Issue 1

1 -- 0Malgorzata Peszynska, Francis Patricia Medina, Wei-Li Hong, Marta Torres. Reduced Numerical Model for Methane Hydrate Formation under Conditions of Variable Salinity. Time-Stepping Variants and Sensitivity
2 -- 0Laura Cattaneo, Alessandro Comunian, Giovanna de Filippis, Mauro Giudici, Chiara Vassena. Modeling Groundwater Flow in Heterogeneous Porous Media with YAGMod
3 -- 0Piotr Matczak. A Test of Various Partial Atomic Charge Models for Computations on Diheteroaryl Ketones and Thioketones
5 -- 0Giuliano Malloci, Giovanni Serra, Andrea Bosin, Attilio Vittorio Vargiu. Extracting Conformational Ensembles of Small Molecules from Molecular Dynamics Simulations: Ampicillin as a Test Case
6 -- 0Claus Vogl, Juraj Bergman. Computation of the Likelihood of Joint Site Frequency Spectra Using Orthogonal Polynomials
7 -- 0Carrie L. German, Sundararajan V. Madihally. Applications of Computational Modelling and Simulation of Porous Medium in Tissue Engineering
8 -- 0John White. CFD Simulation and Experimental Analyses of a Copper Wire Woven Heat Exchanger Design to Improve Heat Transfer and Reduce the Size of Adsorption Beds
9 -- 0Costantino Masciopinto, Domenico Palmiotta. A New Method to Infer Advancement of Saline Front in Coastal Groundwater Systems by 3D: The Case of Bari (Southern Italy) Fractured Aquifer
10 -- 0Claudio Amovilli, Franca Maria Floris, Andrea Grisafi. Localized Polycentric Orbital Basis Set for Quantum Monte Carlo Calculations Derived from the Decomposition of Kohn-Sham Optimized Orbitals
11 -- 0Farrel Gray, Edo S. Boek. Enhancing Computational Precision for Lattice Boltzmann Schemes in Porous Media Flows
12 -- 0Soyoun Son, Li Chen, Qinjun Kang, Dominique Derome, Jan Carmeliet. Contact Angle Effects on Pore and Corner Arc Menisci in Polygonal Capillary Tubes Studied with the Pseudopotential Multiphase Lattice Boltzmann Model
13 -- 0Giancarlo Alfonsi, Stefania A. Ciliberti, Marco Mancini, Leonardo Primavera. Direct Numerical Simulation of Turbulent Channel Flow on High-Performance GPU Computing System
14 -- 0Olha I. Tkachuk, Maria I. Terebinskaya, Victor V. Lobanov, Alexei V. Arbuznikov. Influence of the Localization of Ge Atoms within the Si(001)(4 × 2) Surface Layer on Semicore One-Electron States
15 -- 0Zhiqiang Chen, Chiyu Xie, Yu Chen, Moran Wang. Bonding Strength Effects in Hydro-Mechanical Coupling Transport in Granular Porous Media by Pore-Scale Modeling