International Assessment of Research and Development in Simulation-Based Engineering and Science. Panel Report
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Peter T. Cummings | Masanobu Shinozuka | Linda Petzold | Celeste Sagui | Sharon C. Glotzer | Abhijit Deshmukh | George Em Karniadakis | Martin Head-Gordon | Sangtae Kim | S. Glotzer | M. Head‐Gordon | G. Karniadakis | M. Shinozuka | A. Deshmukh | C. Sagui | P. Cummings | Sangtae Kim | L. Petzold
[1] Peter A. Kollman,et al. Applying Molecular and Materials Modeling , 2010 .
[2] Masanobu Shinozuka,et al. Socio-economic effect of seismic retrofit of bridges for highway transportation networks: a pilot study , 2010 .
[3] Elisa Bertino,et al. PARALLEL AND DISTRIBUTED SYSTEMS , 2010 .
[4] Eamonn J. Keogh,et al. Curse of Dimensionality , 2010, Encyclopedia of Machine Learning.
[5] Grant Lewison,et al. The percentage of reviews in research output: a simple measure of research esteem , 2009 .
[6] Qiuhua Liang,et al. Adaptive quadtree simulation of shallow flows with wet-dry fronts over complex topography , 2009 .
[7] G E Karniadakis,et al. LARGE‐SCALE SIMULATION OF THE HUMAN ARTERIAL TREE , 2009, Clinical and experimental pharmacology & physiology.
[8] Roberto Millini,et al. The Role of Molecular Mechanics and Dynamics Methods in the Development of Zeolite Catalytic Processes , 2009 .
[9] Hiroaki Kitano,et al. Perspectives on systems biology , 2000, New Generation Computing.
[10] Martin Kemp. Next generation energy , 2009 .
[11] Sigal Gottlieb,et al. Spectral Methods , 2019, Numerical Methods for Diffusion Phenomena in Building Physics.
[12] Patricia J. Teller,et al. Proceedings of the 2008 ACM/IEEE conference on Supercomputing , 2008, HiPC 2008.
[13] A. Quarteroni,et al. On the coupling of 1D and 3D diffusion-reaction equations. Applications to tissue perfusion problems , 2008 .
[14] Jun Zang,et al. Wavelet‐based adaptive grids as applied to hydrodynamics , 2008 .
[15] S. Price,et al. Computational prediction of organic crystal structures and polymorphism , 2008 .
[16] J. P. Grossman,et al. Anton, a special-purpose machine for molecular dynamics simulation , 2008, CACM.
[17] L. He,et al. Harmonic Solution of Unsteady Flow Around Blades with Separation , 2008 .
[18] Jonathan M Goodman,et al. Stereostructure assignment of flexible five-membered rings by GIAO 13C NMR calculations: prediction of the stereochemistry of elatenyne. , 2008, The Journal of organic chemistry.
[19] Guido Reina,et al. Homogeneous nucleation in supersaturated vapors of methane, ethane, and carbon dioxide predicted by brute force molecular dynamics. , 2008, The Journal of chemical physics.
[20] Dean Ho,et al. Functionalized Nanomaterials at the Interface of Biology and Technology , 2008 .
[21] Emily A Carter,et al. Advances in correlated electronic structure methods for solids, surfaces, and nanostructures. , 2008, Annual review of physical chemistry.
[22] Annalisa Quaini,et al. Splitting Methods Based on Algebraic Factorization for Fluid-Structure Interaction , 2008, SIAM J. Sci. Comput..
[23] Michael L. Hines,et al. Fully implicit parallel simulation of single neurons , 2008, Journal of Computational Neuroscience.
[24] Nicola Parolini,et al. Fluid-structure interaction problems in free surface flows: application to boat dynamics , 2008 .
[25] Jonathan M Goodman,et al. Polymorph control: past, present and future. , 2008, Drug discovery today.
[26] J. VandeVondele,et al. Direct energy functional minimization under orthogonality constraints. , 2008, The Journal of chemical physics.
[27] Yiannis Ventikos,et al. Local remeshing for large amplitude grid deformations , 2008, J. Comput. Phys..
[28] Jesper Henri Hattel,et al. Integrated modelling in materials and process technology , 2008 .
[29] A. Yu,et al. Multiscale modeling and simulation of polymer nanocomposites , 2008 .
[30] Masanobu Shinozuka,et al. Probabilistic assessment for seismic performance of port structures , 2008 .
[31] Alfredo Battistelli,et al. Modeling Multiphase Organic Spills in Coastal Sites with TMVOC V.2.0 , 2008 .
[32] Jun Zang,et al. Wave diffraction and near-trapping by a multi-column gravity-based structure , 2008 .
[33] Wenbin Dai,et al. Hydrogen production from a fluidized-bed coal gasifier with in situ fixation of CO2 Part I: Numerical model , 2008 .
[34] Florian Nigsch,et al. How To Winnow Actives from Inactives: Introducing Molecular Orthogonal Sparse Bigrams (MOSBs) and Multiclass Winnow , 2008, J. Chem. Inf. Model..
[35] Chris-Kriton Skylaris,et al. Recent progress in linear-scaling density functional calculations with plane waves and pseudopotentials: the ONETEP code , 2008, Journal of physics. Condensed matter : an Institute of Physics journal.
[36] Jonathan M Goodman,et al. 1,5-anti stereocontrol in the boron-mediated aldol reactions of beta-alkoxy methyl ketones: the role of the formyl hydrogen bond. , 2008, The Journal of organic chemistry.
[37] Xiangping Zhang,et al. Environmental Impact Assessment of Chemical Process Using the Green Degree Method , 2008 .
[38] Alistair G.L. Borthwick,et al. Soil erosion assessment based on minimum polygons in the Yellow River basin, China , 2008 .
[39] Pascal Raybaud,et al. Microkinetic interpretation of HDS/HYDO selectivity of the transformation of a model FCC gasoline over transition metal sulfides , 2008 .
[40] Jadran Vrabec,et al. Vapor-liquid equilibria simulation and an equation of state contribution for dipole-quadrupole interactions. , 2008, The journal of physical chemistry. B.
[41] Christian Vergara,et al. Multiscale modeling and simulation of drug release from cardiovascular stents , 2008 .
[42] Örjan Ekeberg,et al. Brain-scale simulation of the neocortex on the IBM Blue Gene/L supercomputer , 2008, IBM J. Res. Dev..
[43] Benjamin Stamm,et al. Symmetric and non-symmetric discontinuous Galerkin methods stabilized using bubble enrichment , 2008 .
[44] Henry Markram,et al. Identifying, tabulating, and analyzing contacts between branched neuron morphologies , 2008, IBM J. Res. Dev..
[45] Benjamin Stamm,et al. Stabilization Strategies for High Order Methods for Transport Dominated Problems , 2008 .
[46] Y. Ventikos,et al. Haemodynamic simulation of aneurysm coiling in an anatomically accurate computational fluid dynamics model: technical note , 2008, Neuroradiology.
[47] Guangren Yu,et al. Structure, interaction and property of amino-functionalized imidazolium ILs by molecular dynamics simulation and ab initio calculation , 2007 .
[48] Alfio Quarteroni,et al. Modeling of salt tectonics , 2007 .
[49] J. Yeomans,et al. Hydrodynamic interaction between two swimmers at low Reynolds number. , 2007, Physical review letters.
[50] Jonathan M Goodman,et al. The mechanism of TBD-catalyzed ring-opening polymerization of cyclic esters. , 2007, The Journal of organic chemistry.
[51] Li He,et al. Effect of hot-streak counts on turbine blade heat load and forcing , 2007 .
[52] Jadran Vrabec,et al. Vapor pressure of R227ea + ethanol at 343.13 K by molecular simulation , 2007 .
[53] Doros N. Theodorou,et al. Hierarchical modelling of polymeric materials , 2007 .
[54] Thomas Ertl,et al. Visual Verification and Analysis of Cluster Detection for Molecular Dynamics , 2007, IEEE Transactions on Visualization and Computer Graphics.
[55] Anthony Wachs,et al. A fictitious domain method for dynamic simulation of particle sedimentation in Bingham fluids , 2007 .
[56] H. Kitano. Towards a theory of biological robustness , 2007, Molecular systems biology.
[57] Shinichiro Nakamura,et al. Ab initio NMR chemical shift calculations on proteins using fragment molecular orbitals with electrostatic environment , 2007 .
[58] Xiangping Zhang,et al. The Study of Molecular Modeling for Heavy Oil Thermal Cracking , 2007 .
[59] Henry Markram,et al. A Novel Multiple Objective Optimization Framework for Constraining Conductance-Based Neuron Models by Experimental Data , 2007, Front. Neurosci..
[60] K. Morokuma,et al. Carbon Nanotubes Grow on the C Face of SiC (0001̄) during Sublimation Decomposition: Quantum Chemical Molecular Dynamics Simulations , 2007 .
[61] Ricardo H. Nochetto,et al. Discrete gradient flows for shape optimization and applications , 2007 .
[62] Z. Shuai,et al. Roles of inter- and intramolecular vibrations and band-hopping crossover in the charge transport in naphthalene crystal. , 2007, The Journal of chemical physics.
[63] Shigeyoshi Sakaki,et al. Theoretical Study of Tungsten η3-Silaallyl/η3-Vinylsilyl and Vinyl Silylene Complexes: Interesting Bonding Nature and Relative Stability , 2007 .
[64] Susan B. Sinnott,et al. Atomic-Level Simulation of Ferroelectricity in Oxides: Current Status and Opportunities , 2007 .
[65] Nikolaos A. Gatsonis,et al. Numerical Analysis of Teflon Ablation in Pulsed Plasma Thrusters , 2007 .
[66] Guangren Yu,et al. Insight into the cation-anion interaction in 1,1,3,3-tetramethylguanidinium lactate ionic liquid , 2007 .
[67] A. Quarteroni,et al. Numerical solution of parametrized Navier–Stokes equations by reduced basis methods , 2007 .
[68] I. Babuska,et al. Reliability of computational science , 2007 .
[69] Shigeyoshi Sakaki,et al. Theoretical study of C-H and N-H sigma-bond activation reactions by titinium(IV)-imido complex. Good understanding based on orbital interaction and theoretical proposal for N-H sigma-bond activation of ammonia. , 2007, Journal of the American Chemical Society.
[70] Janet M Thornton,et al. The geometry of interactions between catalytic residues and their substrates. , 2007, Journal of molecular biology.
[71] Takeshi Yamamoto,et al. Ab initio calculation of proton-coupled electron transfer rates using the external-potential representation: a ubiquinol complex in solution. , 2007, The Journal of chemical physics.
[72] Hongyan He,et al. A force field for molecular simulation of tetrabutylphosphonium amino acid ionic liquids. , 2007, The journal of physical chemistry. B.
[73] Alfredo Battistelli,et al. 2D modeling of salt precipitation during the injection of dry CO2 in a depleted gas reservoir , 2007 .
[74] A. Quarteroni,et al. A SEMI-IMPLICIT APPROACH FOR FLUID-STRUCTURE INTERACTION BASED ON AN ALGEBRAIC FRACTIONAL STEP METHOD , 2007 .
[75] Maziar Nekovee,et al. Worm epidemics in wireless ad hoc networks , 2007, ArXiv.
[76] Francesco Frigerio,et al. Characterisation of the Surfactant Shell Stabilising Calcium Carbonate Dispersions in Overbased Detergent Additives: Molecular Modelling and Spin-Probe-ESR Studies , 2007, International Conference on Computational Science.
[77] Kazuo Kitaura,et al. Extending the power of quantum chemistry to large systems with the fragment molecular orbital method. , 2007, The journal of physical chemistry. A.
[78] Gemma L. Holliday,et al. Using reaction mechanism to measure enzyme similarity. , 2007, Journal of molecular biology.
[79] Shinichiro Nakamura,et al. Ab initio study of ultrafast photochemical reaction dynamics of phenol blue. , 2007, Journal of the American Chemical Society.
[80] Guangren Yu,et al. Molecular simulation of guanidinium-based ionic liquids. , 2007, The journal of physical chemistry. B.
[81] Alfio Quarteroni,et al. Robin-Robin Domain Decomposition Methods for the Stokes-Darcy Coupling , 2007, SIAM J. Numer. Anal..
[82] Theodore Simos,et al. Use of Scenarios for Generating Dynamic Execution Workflows over the Grid within the Grid-TLSE Project , 2007 .
[83] Qiuhua Liang,et al. Shallow flow simulation on dynamically adaptive cut cell quadtree grids , 2007 .
[84] Yu Zou,et al. An equation-free approach to analyzing heterogeneous cell population dynamics , 2007, Journal of mathematical biology.
[85] Shigehiko Hayashi,et al. Transition state determination of enzyme reaction on free energy surface: Application to chorismate mutase , 2007 .
[86] Rodney Eatock Taylor. On Modelling the Diffraction of Water Waves , 2007 .
[87] Stephan Irle,et al. Quantum chemical molecular dynamics study of "shrinking" of hot giant fullerenes. , 2007, Journal of nanoscience and nanotechnology.
[88] Philippe Ungerer,et al. Anisotropic united atom model including the electrostatic interactions of benzene. , 2007, The journal of physical chemistry. B.
[89] Zhigang Shuai,et al. Excited state radiationless decay process with Duschinsky rotation effect: formalism and implementation. , 2007, The Journal of chemical physics.
[90] Douglas A. Lauffenburger,et al. Systems Biology: International Research and Development , 2007 .
[91] Xiangping Zhang,et al. Numerical simulation of the bubbling fluidized bed coal gasification by the kinetic theory of granular flow (KTGF) , 2007 .
[92] H. Kitano. A robustness-based approach to systems-oriented drug design , 2007, Nature Reviews Drug Discovery.
[93] Pall I. Olason,et al. A human phenome-interactome network of protein complexes implicated in genetic disorders , 2007, Nature Biotechnology.
[94] Abhijit Chatterjee,et al. An overview of spatial microscopic and accelerated kinetic Monte Carlo methods , 2007 .
[95] Moisés Naím. Help Not Wanted , 2007 .
[96] J. Holdren,et al. Energy and Sustainability , 2007, Science.
[97] David Farrell,et al. Algorithms for bridging scale method parameters , 2007 .
[98] Ioannis G. Kevrekidis,et al. Variance Reduction for the Equation-Free Simulation of Multiscale Stochastic Systems , 2007, Multiscale Model. Simul..
[99] Qiuhua Liang,et al. Particle mixing and reactive front motion in unsteady open shallow flow – Modelled using singular value decomposition , 2007 .
[100] Masanobu Shinozuka,et al. Seismic performance of electric transmission network under component failures , 2007 .
[101] P Zunino,et al. Expansion and drug elution model of a coronary stent , 2007, Computer methods in biomechanics and biomedical engineering.
[102] Wei Bai,et al. Numerical simulation of fully nonlinear regular and focused wave diffraction around a vertical cylinder using domain decomposition , 2007 .
[103] G. Rozza,et al. On the stability of the reduced basis method for Stokes equations in parametrized domains , 2007 .
[104] J. Yeomans,et al. Modeling contact angle hysteresis on chemically patterned and superhydrophobic surfaces. , 2006, Langmuir : the ACS journal of surfaces and colloids.
[105] C. W. Gear,et al. Projective and coarse projective integration for problems with continuous symmetries , 2006, J. Comput. Phys..
[106] Ioannis G. Kevrekidis,et al. General Tooth Boundary Conditions for Equation Free Modeling , 2006, SIAM J. Sci. Comput..
[107] Hadi Dowlatabadi,et al. Incorporating stress in electric power systems reliability models , 2007 .
[108] Xiangping Zhang,et al. Design of separation process of azeotropic mixtures based on the green chemical principles , 2007 .
[109] Michael E. Porter,et al. Competitiveness Index: Where America Stands , 2007 .
[110] Vartan Kurtcuoglu,et al. Computational investigation of subject-specific cerebrospinal fluid flow in the third ventricle and aqueduct of Sylvius. , 2007, Journal of biomechanics.
[111] Mudita Singhal,et al. COPASI - a COmplex PAthway SImulator , 2006, Bioinform..
[112] Peter Stansby,et al. Flow kinematics of focused wave groups on a plane beach in the U.K. Coastal Research Facility , 2006 .
[113] Wei Ge,et al. High-resolution simulation of gas¿solid suspension using macro-scale particle methods , 2006 .
[114] Mei Li,et al. Virtual aluminum castings: An industrial application of ICME , 2006 .
[115] J. Nørskov,et al. Computational high-throughput screening of electrocatalytic materials for hydrogen evolution , 2006, Nature materials.
[116] Kazumori Funatsu,et al. Tip-clearance Effect on Mixing Performance of Twin Screw Extruders , 2006 .
[117] Peter Stansby,et al. Solitary wave transformation, breaking and run-up at a beach , 2006 .
[118] George E. Karniadakis,et al. Uncertainty quantification in simulation science , 2006, J. Comput. Phys..
[119] Nicola Parolini,et al. Mass preserving finite element implementations of the level set method , 2006 .
[120] Arash A. Mostofi,et al. ONETEP: linear‐scaling density‐functional theory with local orbitals and plane waves , 2006 .
[121] A. Quarteroni,et al. Fluid–structure algorithms based on Steklov–Poincaré operators , 2006 .
[122] Eugeny Buldakov,et al. New asymptotic description of nonlinear water waves in Lagrangian coordinates , 2006, Journal of Fluid Mechanics.
[123] Antonella Abbà,et al. A 3D SHAPE OPTIMIZATION PROBLEM IN HEAT TRANSFER: ANALYSIS AND APPROXIMATION VIA BEM , 2006 .
[124] Philippe Ungerer,et al. Optimization of the anisotropic united atoms intermolecular potential for n-alkanes: improvement of transport properties. , 2006, The Journal of chemical physics.
[125] K. Morokuma,et al. Theory and experiment agree: single-walled carbon nanotube caps grow catalyst-free with chirality preference on a SiC surface. , 2006, The Journal of chemical physics.
[126] Riccardo Sacco,et al. A semi-Lagrangian discontinuous Galerkin method for scalar advection by incompressible flows , 2006, J. Comput. Phys..
[127] Suojiang Zhang,et al. Hydrogen bonds in imidazolium ionic liquids. , 2006, The journal of physical chemistry. A.
[128] Alfio Quarteroni,et al. Optimal Control in Heterogeneous Domain Decomposition Methods for Advection-Diffusion Equations , 2006 .
[129] Marc Pantel,et al. Semantic-Based Service Trading: Application to Linear Algebra , 2006, VECPAR.
[130] Patrick Amestoy,et al. Management of Services Based on a Semantic Description Within the GRID-TLSE Project , 2006, VECPAR.
[131] Xiaoliang Yuan,et al. New force field for molecular simulation of guanidinium-based ionic liquids. , 2006, The journal of physical chemistry. B.
[132] Christos N Likos,et al. Soft matter with soft particles. , 2006, Soft matter.
[133] Seiji Tsuzuki,et al. Magnitude and Physical Origin of Intermolecular Interactions of Aromatic Molecules: Recent Progress of Computational Studies , 2006 .
[134] Thomas Bligaard,et al. Toward computational screening in heterogeneous catalysis: Pareto-optimal methanation catalysts , 2006 .
[135] R. Needs,et al. High-pressure phases of silane. , 2006, Physical review letters.
[136] H. Kitano,et al. A comprehensive map of the toll-like receptor signaling network , 2006, Molecular systems biology.
[137] Erik Burman,et al. A Domain Decomposition Method Based on Weighted Interior Penalties for Advection-Diffusion-Reaction Problems , 2006, SIAM J. Numer. Anal..
[138] Suojiang Zhang,et al. Periodicity and map for discovery of new ionic liquids , 2006 .
[139] Hiroaki Kitano,et al. Computational cellular dynamics: a network–physics integral , 2006, Nature Reviews Molecular Cell Biology.
[140] Adrian V. Gheorghe. Critical Infrastructures at Risk: Securing the European Electric Power System , 2006 .
[141] Wenbin Dai,et al. Design of task-specific ionic liquids for capturing CO2: A molecular orbital study , 2006 .
[142] Stewart A. Adcock,et al. Molecular dynamics: survey of methods for simulating the activity of proteins. , 2006, Chemical reviews.
[143] H. Markram. The Blue Brain Project , 2006, Nature Reviews Neuroscience.
[144] Simona Perotto,et al. Reliability and efficiency of an anisotropic zienkiewicz-zhu error estimator , 2006 .
[145] H. Kitano,et al. Robustness trade-offs and host–microbial symbiosis in the immune system , 2006, Molecular systems biology.
[146] N. Augustine. Rising Above The Gathering Storm: Energizing and Employing America for a Brighter Economic Future , 2006 .
[147] Xiang Shu-guang. Simulation of Multi-component Multi-stage Separation Process——An Improved Algorithm and Application , 2006 .
[148] Li He,et al. Fourier modeling of steady and unsteady nonaxisymmetrical flows , 2006 .
[149] Peter Eberhard,et al. Computational Dynamics of Multibody Systems: History, Formalisms, and Applications , 2006 .
[150] Cuixia Li,et al. Environmental benign design of DMC production process , 2006 .
[151] Anthony WACHS,et al. A DISTINCT ELEMENT GRANULAR SOLVER / FICTITIOUS DOMAIN METHOD FOR THE NUMERICAL SIMULATION OF PARTICULATE FLOWS , 2006 .
[152] P. Bork,et al. Supplementary Information for : Co-evolution of transcriptional and posttranslational cell cycle regulation , 2006 .
[153] Shinobu Yoshimura,et al. Virtual Demonstration Tests of Large-Scale and Complex Artifacts Using an Open Source Parallel CAE System, ADVENTURE , 2005 .
[154] Holger Gohlke,et al. The Amber biomolecular simulation programs , 2005, J. Comput. Chem..
[155] Xiangping Zhang,et al. Prediction of phase equilibrium properties for complicated macromolecular systems by HGALM neural networks , 2005 .
[156] Franz Franchetti,et al. Large-Scale First-Principles Molecular Dynamics simulations on the BlueGene/L Platform using the Qbox code , 2005, ACM/IEEE SC 2005 Conference (SC'05).
[157] Shinobu Yoshimura,et al. Parallel process system and its application to steam generator structural analysis , 2005 .
[158] A. Borthwick,et al. Pseudospectral element model for free surface viscous flows , 2005 .
[159] Quanshui Zheng,et al. Size dependence of the thin-shell model for carbon nanotubes. , 2005, Physical review letters.
[160] Alfio Quarteroni,et al. Optimal Control and Numerical Adaptivity for Advection-Diffusion Equations , 2005 .
[161] K. Pruess,et al. TMVOC, a numerical simulator for three-phase non-isothermal flows of multicomponent hydrocarbon mixtures in saturated-unsaturated heterogeneous media , 2005 .
[162] Fabio Nobile,et al. Worst case scenario analysis for elliptic problems with uncertainty , 2005, Numerische Mathematik.
[163] Yukiko Matsuoka,et al. Using process diagrams for the graphical representation of biological networks , 2005, Nature Biotechnology.
[164] Mike C. Payne,et al. Multiscale hybrid simulation methods for material systems , 2005 .
[165] H. D. Li,et al. Toward Intra-Row Gap Optimization for One and Half Stage Transonic Compressor , 2005 .
[166] J. Sethna,et al. Bayesian error estimation in density-functional theory. , 2005, Physical review letters.
[167] Paul Taylor,et al. Formation of walls of water in ‘fully’ nonlinear simulations , 2005 .
[168] Jack Dongarra,et al. Computational Science: Ensuring America's Competitiveness , 2005 .
[169] Raymond Lister,et al. Grand challenges , 2005, SGCS.
[170] H. Kitano,et al. A comprehensive pathway map of epidermal growth factor receptor signaling , 2005, Molecular systems biology.
[171] Ryozo Ooka,et al. Field and wind-tunnel study of pollutant dispersion in a built-up area under various meteorological conditions , 2005 .
[172] Anna Carlsson,et al. Ammonia Synthesis from First-Principles Calculations. , 2005 .
[173] Pingjing Yao,et al. Modeling and simulation of high-pressure urea synthesis loop , 2005, Comput. Chem. Eng..
[174] K Perktold,et al. Mathematical and numerical models for transfer of low-density lipoproteins through the arterial walls: a new methodology for the model set up with applications to the study of disturbed lumenal flow. , 2005, Journal of biomechanics.
[175] A. van Oudenaarden,et al. Noise Propagation in Gene Networks , 2005, Science.
[176] Alfio Quarteroni,et al. Mathematical models and numerical simulations for the America"s Cup , 2005 .
[177] P. Bork,et al. Dynamic Complex Formation During the Yeast Cell Cycle , 2005, Science.
[178] S. Moffatt,et al. On decoupled and fully-coupled methods for blade forced response prediction , 2005 .
[179] Nicola Parolini,et al. A finite element level set method for viscous free-surface flows , 2005 .
[180] Hiroaki Kitano,et al. In vivo Robustness Analysis of Cell Division Cycle Genes in S. cerevisiae , 2005 .
[181] Stephan Irle,et al. Towards formation of buckminsterfullerene C60 in quantum chemical molecular dynamics. , 2005, The Journal of chemical physics.
[182] Alessandro Veneziani,et al. Pressure Correction Algebraic Splitting Methods for the Incompressible Navier-Stokes Equations , 2005, SIAM J. Numer. Anal..
[183] Hiroaki Kitano,et al. Biological robustness , 2008, Nature Reviews Genetics.
[184] Hiroaki Kitano,et al. Detection of nuclei in 4D Nomarski DIC microscope images of early Caenorhabditis elegans embryos using local image entropy and object tracking , 2005, BMC Bioinformatics.
[185] L. Formaggia,et al. Anisotropic mesh adaptation in computational fluid dynamics: application to the advection-diffusion-reaction and the Stokes problems , 2004 .
[186] E. Ramm,et al. Models and finite elements for thin-walled structures , 2004 .
[187] M C Payne,et al. "Learn on the fly": a hybrid classical and quantum-mechanical molecular dynamics simulation. , 2004, Physical review letters.
[188] L. Formaggia,et al. Stability analysis of second-order time accurate schemes for ALE-FEM , 2004 .
[189] Qiuhua Liang,et al. Simulation of dam‐ and dyke‐break hydrodynamics on dynamically adaptive quadtree grids , 2004 .
[190] Sarah M. Keating,et al. Evolving a lingua franca and associated software infrastructure for computational systems biology: the Systems Biology Markup Language (SBML) project. , 2004, Systems biology.
[191] Baohua Ji,et al. Mechanical properties of nanostructure of biological materials , 2004 .
[192] T. Trucano,et al. Verification, Validation, and Predictive Capability in Computational Engineering and Physics , 2004 .
[193] Shinobu Yoshimura,et al. Development of an Integrity Evaluation System on the Basis of Cooperative Virtual Reality Environment for Reactor Pressure Vessel , 2004 .
[194] A. Battistelli. Modeling Biodegradation of Organic Contaminants under Multiphase Conditions with TMVOCBio , 2004 .
[195] Nebojsa Nakicenovic,et al. Characterizing Climate-Change Uncertainties for Decision-Makers. An Editorial Essay , 2004 .
[196] D Poulikakos,et al. Oscillatory behavior of nanodroplets. , 2004, Physical review. E, Statistical, nonlinear, and soft matter physics.
[197] Bin Liu,et al. The atomic-scale finite element method , 2004 .
[198] Harold S. Park,et al. An introduction to computational nanomechanics and materials , 2004 .
[199] Wei Ge,et al. Multi-scale methodology for complex systems , 2004 .
[200] Xiangping Zhang,et al. Prediction of solubility of lysozyme in lysozyme-NaCl-H2O system with artificial neural network , 2004 .
[201] H. Kitano. Cancer as a robust system: implications for anticancer therapy , 2004, Nature Reviews Cancer.
[202] Li Lixu,et al. China’s higher education reform 1998–2003: A summary , 2004 .
[203] Wu Zhang,et al. A parallel two-level hybrid method for tridiagonal systems and its application to fast Poisson solvers , 2004, IEEE Transactions on Parallel and Distributed Systems.
[204] Charles Taylor,et al. EXPERIMENTAL AND COMPUTATIONAL METHODS IN CARDIOVASCULAR FLUID MECHANICS , 2004 .
[205] P. J. Hunter,et al. Generation of an Anatomically Based Three-Dimensional Model of the Conducting Airways , 2000, Annals of Biomedical Engineering.
[206] Fritz Hohl,et al. Mole – Concepts of a mobile agent system , 1999, World Wide Web.
[207] Patrick R. Amestoy,et al. GRID-TLSE: A Web Site for Experimenting with Sparse Direct Solvers on a Computational Grid , 2004 .
[208] Benedict D. Rogers,et al. Mathematical balancing of flux gradient and source terms prior to using Roe's approximate Riemann solver , 2003 .
[209] A. Quarteroni,et al. OPTIMAL CONTROL AND SHAPE OPTIMIZATION OF AORTO-CORONARIC BYPASS ANASTOMOSES , 2003 .
[210] Hiroaki Kitano,et al. CellDesigner: a process diagram editor for gene-regulatory and biochemical networks , 2003 .
[211] Wei Ge,et al. Simulation of particle-fluid systems with macro-scale pseudo-particle modeling , 2003 .
[212] D. Marenduzzo,et al. Rheology of distorted nematic liquid crystals , 2003, cond-mat/0308531.
[213] Paolo Pollesel,et al. A priori selection of shape-selective zeolite catalysts for the synthesis of 2,6-dimethylnaphthalene , 2003 .
[214] Miguel A. Fernández,et al. ACCELERATION OF A FIXED POINT ALGORITHM FOR FLUID-STRUCTURE INTERACTION USING TRANSPIRATION CONDITIONS , 2003 .
[215] Ronald E. Miller,et al. Atomistic/continuum coupling in computational materials science , 2003 .
[216] Frederick R. Manby,et al. Fast linear scaling second-order Møller-Plesset perturbation theory (MP2) using local and density fitting approximations , 2003 .
[217] Qi Liao,et al. Molecular dynamics simulations of polyelectrolyte solutions: Nonuniform stretching of chains and scaling behavior , 2003 .
[218] Qi Liao,et al. Molecular dynamics simulations of polyelectrolyte solutions: Osmotic coefficient and counterion condensation , 2003 .
[219] Wei Ge,et al. Macro-scale phenomena reproduced in microscopic systems—pseudo-particle modeling of fluidization , 2003 .
[220] K. Morokuma,et al. Formation of Fullerene Molecules from Carbon Nanotubes: A Quantum Chemical Molecular Dynamics Study , 2003 .
[221] Simona Perotto,et al. Stabilized Finite Elements on Anisotropic Meshes: A Priori Error Estimates for the Advection-Diffusion and the Stokes Problems , 2003, SIAM J. Numer. Anal..
[222] Hiroaki Kitano,et al. The systems biology markup language (SBML): a medium for representation and exchange of biochemical network models , 2003, Bioinform..
[223] 海洋研究開発機構横浜研究所地球シミュレータセンター,et al. Annual report of the Earth Simulator Center , 2003 .
[224] Alfio Quarteroni,et al. Analysis of a Geometrical Multiscale Model Based on the Coupling of ODE and PDE for Blood Flow Simulations , 2003, Multiscale Model. Simul..
[225] Srikanta P Kumar,et al. BioSPICE: a computational infrastructure for integrative biology. , 2003, Omics : a journal of integrative biology.
[226] Shinobu Yoshimura,et al. Advanced general-purpose computational mechanics system for large-scale analysis and design , 2002 .
[227] H. Kitano,et al. Computational systems biology , 2002, Nature.
[228] Matthieu Verstraete,et al. First-principles computation of material properties: the ABINIT software project , 2002 .
[229] M. Lambrecht,et al. Homogenization of inelastic solid materials at finite strains based on incremental minimization principles. Application to the texture analysis of polycrystals , 2002 .
[230] J. Berg,et al. Molecular dynamics simulations of biomolecules , 2002, Nature Structural Biology.
[231] Denis Noble,et al. The IUPS human physiome project , 2002, Pflügers Archiv.
[232] P. Swain,et al. Stochastic Gene Expression in a Single Cell , 2002, Science.
[233] Keiji Morokuma,et al. New challenges in quantum chemistry: quests for accurate calculations for large molecular systems , 2002, Philosophical Transactions of the Royal Society of London. Series A: Mathematical, Physical and Engineering Sciences.
[234] Alex Terray,et al. Microfluidic Control Using Colloidal Devices , 2002, Science.
[235] J. Doyle,et al. Robustness as a measure of plausibility in models of biochemical networks. , 2002, Journal of theoretical biology.
[236] Kazumori Funatsu,et al. Flow patterns and mixing mechanisms in the screw mixing element of a co‐rotating twin‐screw extruder , 2002 .
[237] Shinichiro Nakamura,et al. Theoretical studies to understand surface chemistry on carbon anodes for lithium-ion batteries: how does vinylene carbonate play its role as an electrolyte additive? , 2002, Journal of the American Chemical Society.
[238] John L. Klepeis,et al. Deterministic Global Optimization and Ab Initio Approaches for the Structure Prediction of Polypeptides, Dynamics of Protein Folding, and Protein‐Protein Interactions , 2002 .
[239] Richard E. Brown,et al. Electric Power Distribution Reliability , 2002 .
[240] George Em Karniadakis,et al. Quantifying Uncertainty in CFD , 2002 .
[241] H. Kitano. Systems Biology: A Brief Overview , 2002, Science.
[242] Kazuo Nakajima,et al. Lattice dynamics and dielectric properties of yttrium oxysulfide , 2002 .
[243] R. Friesner. Computational Methods for Protein Folding , 2002 .
[244] Alfio Quarteroni,et al. A Domain Decomposition Method for Advection-Diffusion Processes with Application to Blood Solutes , 2002, SIAM J. Sci. Comput..
[245] John Kuriyan,et al. Crystal structures of the kinase domain of c-Abl in complex with the small molecule inhibitors PD173955 and imatinib (STI-571). , 2001, Cancer research.
[246] D. Frenkel,et al. Understanding molecular simulation : from algorithms to applications. 2nd ed. , 2002 .
[247] W. Ehlers. Foundations of multiphasic and porous materials , 2002 .
[248] Alfio Quarteroni,et al. Numerical Treatment of Defective Boundary Conditions for the Navier-Stokes Equations , 2002, SIAM J. Numer. Anal..
[249] A. Quarteroni,et al. On the coupling of 3D and 1D Navier-Stokes equations for flow problems in compliant vessels , 2001 .
[250] D. Sánchez-Portal,et al. The SIESTA method for ab initio order-N materials simulation , 2001, cond-mat/0104182.
[251] Hans Hasse,et al. A Set of Molecular Models for Symmetric Quadrupolar Fluids , 2001 .
[252] P. Balbuena,et al. Theoretical studies to understand surface chemistry on carbon anodes for lithium-ion batteries: reduction mechanisms of ethylene carbonate. , 2001, Journal of the American Chemical Society.
[253] Martin Kraus,et al. High-quality pre-integrated volume rendering using hardware-accelerated pixel shading , 2001, HWWS '01.
[254] F. Allgöwer,et al. High performance feedback for fast scanning atomic force microscopes , 2001 .
[255] Tomáš Kozubek,et al. Fictitious domain methods in shape optimization , 2001 .
[256] Martin Claussen,et al. Earth System Models , 2001 .
[257] R. Needs,et al. Quantum Monte Carlo simulations of solids , 2001 .
[258] Barbara I. Wohlmuth,et al. A Mortar Finite Element Method Using Dual Spaces for the Lagrange Multiplier , 2000, SIAM J. Numer. Anal..
[259] David E. Bernholdt,et al. High performance computational chemistry: An overview of NWChem a distributed parallel application , 2000 .
[260] George Em Karniadakis,et al. Dynamics and low-dimensionality of a turbulent near wake , 2000, Journal of Fluid Mechanics.
[261] Masayoshi Mikami,et al. First-principles study of yttrium oxysulfide: bulk and its defects , 2000 .
[262] Philippe G. LeFloch,et al. High-Order Schemes, Entropy Inequalities, and Nonclassical Shocks , 2000, SIAM J. Numer. Anal..
[263] D. Osguthorpe. Ab initio protein folding. , 2000, Current opinion in structural biology.
[264] P. Donato,et al. An introduction to homogenization , 2000 .
[265] Villarrubia Cuadrado Aa. Lack of respect , 2000 .
[266] Kazumori Funatsu,et al. 3‐D numerical simulations of nonisothermal flow in co‐rotating twin screw extruders , 2000 .
[267] J. Oden,et al. A Posteriori Error Estimation in Finite Element Analysis , 2000 .
[268] Hans-Joachim Wunderlich,et al. Minimized Power Consumption for Scan-Based BIST , 1999, International Test Conference 1999. Proceedings (IEEE Cat. No.99CH37034).
[269] Frank Leymann,et al. Production Workflow: Concepts and Techniques , 1999 .
[270] W. Cai,et al. An adaptive wavelet method for nonlinear circuit simulation , 1999 .
[271] J. Q. Broughton,et al. Concurrent coupling of length scales: Methodology and application , 1999 .
[272] Masayoshi Mikami,et al. FIRST-PRINCIPLES STUDY OF INTRINSIC DEFECTS IN YTTRIUM OXYSULFIDE , 1999 .
[273] Ken Kennedy,et al. Information Technology Research Investing in Our Future , 1999 .
[274] Keiji Morokuma,et al. Accurate calculations of bond-breaking energies in C60 using the three-layered ONIOM method , 1999 .
[275] Alfio Quarteroni,et al. Finite element approximation of Quasi-3D shallow water equations , 1999 .
[276] Laxmikant V. Kale,et al. Algorithmic Challenges in Computational Molecular Biophysics , 1999 .
[277] K. Morokuma,et al. A NEW ONIOM IMPLEMENTATION IN GAUSSIAN98. PART I. THE CALCULATION OF ENERGIES, GRADIENTS, VIBRATIONAL FREQUENCIES AND ELECTRIC FIELD DERIVATIVES , 1999 .
[278] Hiroaki Kitano,et al. Simulation of Genetic Interaction for Drosophila Leg Formation , 1998, Pacific Symposium on Biocomputing.
[279] Wolfgang Ehlers,et al. On theoretical and numerical methods in the theory of porous media based on polar and non-polar elasto-plastic solid materials , 1998 .
[280] P. Kollman,et al. Pathways to a protein folding intermediate observed in a 1-microsecond simulation in aqueous solution. , 1998, Science.
[281] Michael M. Resch,et al. Distributed Computing in a Heterogeneous Computing Environment , 1998, PVM/MPI.
[282] Patrick J. Roache,et al. Verification and Validation in Computational Science and Engineering , 1998 .
[283] George B. Kleindorfer,et al. Validation in Simulation: Various Positions in the Philosophy of Science , 1998 .
[284] Rüdiger Westermann,et al. Efficiently using graphics hardware in volume rendering applications , 1998, SIGGRAPH.
[285] Masayoshi Mikami,et al. FIRST-PRINCIPLES BAND-STRUCTURE CALCULATION OF YTTRIUM OXYSULFIDE , 1998 .
[286] Shigehiko Hayashi,et al. Solvent Effect on Intramolecular Long-Range Electron-Transfer Reactions between Porphyrin and Benzoquinone in an Acetonitrile Solution: Molecular Dynamics Calculations of Reaction Rate Constants , 1998 .
[287] Hong Chen,et al. Nonlinear Model Predictive Control Schemes with Guaranteed Stability , 1998 .
[288] Wei Cai,et al. An Adaptive Spline Wavelet ADI (SW-ADI) Method for Two-Dimensional Reaction-Diffusion Equations , 1998 .
[289] R. Helmig. Multiphase Flow and Transport Processes in the Subsurface: A Contribution to the Modeling of Hydrosystems , 2011 .
[290] Jörg Stadler,et al. IMD: A Software Package for Molecular Dynamics Studies on Parallel Computers , 1997 .
[291] K. Pruess,et al. The simulator TOUGH2/EWASG for modelling geothermal reservoirs with brines and non-condensible gas , 1997 .
[292] H. Rentz-Reichert,et al. UG – A flexible software toolbox for solving partial differential equations , 1997 .
[293] J. A. Rowson. Virtual prototyping , 1997, Proceedings of CICC 97 - Custom Integrated Circuits Conference.
[294] S. Brunak,et al. SHORT COMMUNICATION Identification of prokaryotic and eukaryotic signal peptides and prediction of their cleavage sites , 1997 .
[295] Michael T. Heath,et al. Scientific Computing , 2018 .
[296] K. Morokuma,et al. ONIOM: A Multilayered Integrated MO + MM Method for Geometry Optimizations and Single Point Energy Predictions. A Test for Diels−Alder Reactions and Pt(P(t-Bu)3)2 + H2 Oxidative Addition , 1996 .
[297] Berend Smit,et al. Understanding molecular simulation: from algorithms to applications , 1996 .
[298] L. Trigeorgis. Real Options: Managerial Flexibility and Strategy in Resource Allocation , 1996 .
[299] Masanobu Shinozuka,et al. Simulation of Multi-Dimensional Gaussian Stochastic Fields by Spectral Representation , 1996 .
[300] Guido Schneider,et al. Attractors for modulation equations on unbounded domains-existence and comparison , 1995 .
[301] Thomas Sterling,et al. Enabling Technologies for Petaflops Computing , 1995 .
[302] S. Finsterle,et al. T2VOC user`s guide , 1995 .
[303] David Edge,et al. Reinventing the Wheel , 1995 .
[304] Edda Klipp,et al. Systems Biology , 1994 .
[305] Amy M. Hightower,et al. Science and Engineering Indicators , 1993 .
[306] Steve Plimpton,et al. Fast parallel algorithms for short-range molecular dynamics , 1993 .
[307] D. Kofke. Direct evaluation of phase coexistence by molecular simulation via integration along the saturation line , 1993 .
[308] Charles L. Brooks,et al. Simulations of peptide conformational dynamics and thermodynamics , 1993 .
[309] J. C. Simo,et al. Associated coupled thermoplasticity at finite strains: formulation, numerical analysis and implementation , 1992 .
[310] Ken-ichi Anjyo,et al. A simple method for extracting the natural beauty of hair , 1992, SIGGRAPH.
[311] Max S. Baucus,et al. The Council on Competitiveness , 1992 .
[312] R. Ghanem,et al. Stochastic Finite Elements: A Spectral Approach , 1990 .
[313] P. Knowles,et al. An efficient internally contracted multiconfiguration–reference configuration interaction method , 1988 .
[314] Roy Billinton,et al. Reliability Assessment of Large Electric Power Systems , 1988 .
[315] J. Banavar,et al. Computer Simulation of Liquids , 1988 .
[316] A. Larsen,et al. Data quality for process design , 1986 .
[317] Patrick Argos,et al. [10] Prediction of protein structure , 1986 .
[318] M. Karplus,et al. CHARMM: A program for macromolecular energy, minimization, and dynamics calculations , 1983 .
[319] Gunnar Abrahamson,et al. Terminology for model credibility , 1980 .
[320] Hiroshi Nakatsuji,et al. Cluster expansion of the wavefunction. Electron correlations in ground and excited states by SAC (symmetry-adapted-cluster) and SAC CI theories , 1979 .
[321] Hiroshi Nakatsuji,et al. Cluster expansion of the wavefunction. Calculation of electron correlations in ground and excited states by SAC and SAC CI theories , 1979 .
[322] Roy Jensen. Reliability Modeling in Electric Power Systems , 1979 .
[323] N. Nakatsuji,et al. Cluster expansion of the wavefunction. Excited states , 1978 .
[324] Hiroshi Nakatsuji,et al. Cluster expansion of the wavefunction. Pseduo-orbital theory applied to spin correlation , 1977 .
[325] J. Whitelaw,et al. Convective heat and mass transfer , 1966 .
[326] E Ij I Tsuchida,et al. Augmented orbital minimization method for linear scaling electronic structure calculations , 2006 .