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La ricerca find articoli where soggetti phrase all words 'FAST MULTIPOLE METHOD' sort by level,fasc_key/DESCEND, pagina_ini_num/ASCEND ha restituito 126 riferimenti
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    1. Zhou, RH; Friesner, RA; Ghosh, A; Rizzo, RC; Jorgensen, WL; Levy, RM
      New linear interaction method for binding affinity calculations using a continuum solvent model

      JOURNAL OF PHYSICAL CHEMISTRY B
    2. Wang, ZQ; Lupo, JA; Patnaik, S; Pachter, R
      Large scale molecular dynamics simulations of a 4-n-pentyl-4 '-cyanobiphenyl (5CB) liquid crystalline model in the bulk and as a droplet

      COMPUTATIONAL AND THEORETICAL POLYMER SCIENCE
    3. Ethridge, F; Greengard, L
      A new fast-multipole accelerated Poisson solver in two dimensions

      SIAM JOURNAL ON SCIENTIFIC COMPUTING
    4. Schlick, T
      Time-trimming tricks for dynamic simulations: Splitting force updates to reduce computational work

      STRUCTURE
    5. Helsing, J; Jonsson, A
      Complex variable boundary integral equations for perforated infinite planes

      ENGINEERING ANALYSIS WITH BOUNDARY ELEMENTS
    6. Li, JY; Li, LW; Ooi, BL; Kooi, PS; Leong, MS
      On the accuracy of the addition theorem for a scalar Green's function usedin the FMM

      MICROWAVE AND OPTICAL TECHNOLOGY LETTERS
    7. Velamparambil, S; Chew, WC
      A fast polynomial representation for the translation operators of an MLFMA

      MICROWAVE AND OPTICAL TECHNOLOGY LETTERS
    8. Kishimoto, T; Totsuji, C; Tsuruta, K; Totsuji, H
      On the Madelung energy of spherical Coulomb clusters

      PHYSICS LETTERS A
    9. El-Shenawee, M; Rappaport, C; Miller, EL; Silevitch, MB
      Three-dimensional subsurface analysis of electromagnetic scattering from penetrable/PEC objects buried under rough surfaces: Use of the steepest descent fast multipole method

      IEEE TRANSACTIONS ON GEOSCIENCE AND REMOTE SENSING
    10. Velde, GT; Bickelhaupt, FM; Baerends, EJ; Guerra, CF; Van Gisbergen, SJA; Snijders, JG; Ziegler, T
      Chemistry with ADF

      JOURNAL OF COMPUTATIONAL CHEMISTRY
    11. Duan, ZH; Krasny, R
      An adaptive treecode for computing nonbonded potential energy in classicalmolecular systems

      JOURNAL OF COMPUTATIONAL CHEMISTRY
    12. Choi, CH; Ruedenberg, K; Gordon, MS
      New parallel optimal-parameter fast multipole method (OPFMM)

      JOURNAL OF COMPUTATIONAL CHEMISTRY
    13. Sun, XB; Pitsianis, NP
      A matrix version of the fast multipole method

      SIAM REVIEW
    14. Akaiwa, N; Thornton, K; Voorhees, PW
      Large-scale simulations of microstructural evolution in elastically stressed solids

      JOURNAL OF COMPUTATIONAL PHYSICS
    15. Lindsay, K; Krasny, R
      A particle method and adaptive treecode for vortex sheet motion in three-dimensional flow

      JOURNAL OF COMPUTATIONAL PHYSICS
    16. Bruno, OP; Kunyansky, LA
      A fast, high-order algorithm for the solution of surface scattering problems: Basic implementation, tests, and applications

      JOURNAL OF COMPUTATIONAL PHYSICS
    17. Spotz, WF; Swarztrauber, PN
      A performance comparison of associated Legendre projections

      JOURNAL OF COMPUTATIONAL PHYSICS
    18. Batcho, PF; Case, DA; Schlick, T
      Optimized particle-mesh Ewald/multiple-time step integration for moleculardynamics simulations

      JOURNAL OF CHEMICAL PHYSICS
    19. Batcho, PF; Schlick, T
      New splitting formulations for lattice summations

      JOURNAL OF CHEMICAL PHYSICS
    20. Improta, R; Barone, V; Kudin, KN; Scuseria, GE
      The conformational behavior of polyglycine as predicted by a density functional model with periodic boundary conditions

      JOURNAL OF CHEMICAL PHYSICS
    21. Schutz, M; Werner, HJ
      Low-order scaling local electron correlation methods. IV. Linear scaling local coupled-cluster (LCCSD)

      JOURNAL OF CHEMICAL PHYSICS
    22. Shao, YH; White, CA; Head-Gordon, M
      Efficient evaluation of the Coulomb force in density-functional theory calculations

      JOURNAL OF CHEMICAL PHYSICS
    23. Buchau, A; Rieger, W; Rucker, WM
      BEM computations using the fast multipole method in combination with higher order elements and the Galerkin method

      IEEE TRANSACTIONS ON MAGNETICS
    24. Manby, FR; Knowles, PJ; Lloyd, AW
      Density matrix functional theory in average and relative coordinates

      CHEMICAL PHYSICS LETTERS
    25. Tuckerman, ME; Martyna, GJ
      Understanding modern molecular dynamics: Techniques and applications

      JOURNAL OF PHYSICAL CHEMISTRY B
    26. Ochsenfeld, C
      An ab initio study of the relation between NMR chemical shifts and solid-state structures: hexabenzocoronene derivatives

      PHYSICAL CHEMISTRY CHEMICAL PHYSICS
    27. Truhlar, DG
      Perspective on "Principles for a direct SCF approach to LCAO-MO ab initio calculations" - Almlof J, Faegri K Jr, Korsell K (1982) J Comput Chem 3 : 385-399

      THEORETICAL CHEMISTRY ACCOUNTS
    28. Eibert, TF; Volakis, JL
      Fast spectral domain algorithm for hybrid finite element/boundary integralmodelling of doubly periodic structures

      IEE PROCEEDINGS-MICROWAVES ANTENNAS AND PROPAGATION
    29. Fu, YH; Rodin, GJ
      Fast solution method for three-dimensional Stokesian many-particle problems

      COMMUNICATIONS IN NUMERICAL METHODS IN ENGINEERING
    30. Grama, A; Sarin, V; Sameh, A
      Improving error bounds for multipole-based treecodes

      SIAM JOURNAL ON SCIENTIFIC COMPUTING
    31. Pan, YC; Chew, WC
      A hierarchical fast-multipole method for stratified media

      MICROWAVE AND OPTICAL TECHNOLOGY LETTERS
    32. Sertel, K; Volakis, JL
      Incomplete LU preconditioner for FMM implementation

      MICROWAVE AND OPTICAL TECHNOLOGY LETTERS
    33. Kawata, M; Mikami, M
      Computationally efficient canonical molecular dynamics simulations by using a multiple time-step integrator algorithm combined with the particle meshEwald method and with the fast multipole method

      JOURNAL OF COMPUTATIONAL CHEMISTRY
    34. Chiu, SW; Clark, M; Subramaniam, S; Jakobsson, E
      Collective motion artifacts arising in long-duration molecular dynamics simulations

      JOURNAL OF COMPUTATIONAL CHEMISTRY
    35. Gill, PMW; Gilbert, ATB; Adams, TR
      Rapid evaluation of two-center two-electron integrals

      JOURNAL OF COMPUTATIONAL CHEMISTRY
    36. Amisaki, T
      Precise and efficient Ewald summation for periodic fast multipole method

      JOURNAL OF COMPUTATIONAL CHEMISTRY
    37. Valero, A; Rojas, RG
      Fast analysis of electromagnetic scattering from finite strip gratings on a grounded dielectric slab

      RADIO SCIENCE
    38. Volakis, JL; Eibert, TF; Sertel, K
      Fast integral methods for conformal antenna and array modeling in conjunction with hybrid finite element formulations

      RADIO SCIENCE
    39. Darve, E
      The fast multipole method I: error analysis and asymptotic complexity

      SIAM JOURNAL ON NUMERICAL ANALYSIS
    40. Barden, CJ; Schaefer, HF
      Quantum chemistry in the 21st century (Special Topic Article)

      PURE AND APPLIED CHEMISTRY
    41. Vosbeek, PWC; Clercx, HJH; Mattheij, RMM
      Acceleration of contour dynamics simulations with a hierarchical-element method

      JOURNAL OF COMPUTATIONAL PHYSICS
    42. Darve, E
      The fast multipole method: Numerical implementation

      JOURNAL OF COMPUTATIONAL PHYSICS
    43. Toukmaji, A; Sagui, C; Board, J; Darden, T
      Efficient particle-mesh Ewald based approach to fixed and induced dipolar interactions

      JOURNAL OF CHEMICAL PHYSICS
    44. Hetzer, G; Schutz, M; Stoll, H; Werner, HJ
      Low-order scaling local correlation methods II: Splitting the Coulomb operator in linear scaling local second-order Moller-Plesset perturbation theory

      JOURNAL OF CHEMICAL PHYSICS
    45. Sankararamakrishnan, R; Konvicka, K; Mehler, EL; Weinstein, H
      Solvation in simulated annealing and high-temperature molecular dynamics of proteins: A restrained water droplet model

      INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY
    46. Ling, F; Wang, CF; Jin, JM
      An efficient algorithm for analyzing large-scale microstrip structures using adaptive integral method combined with discrete complex-image method

      IEEE TRANSACTIONS ON MICROWAVE THEORY AND TECHNIQUES
    47. Buchau, A; Huber, CJ; Rieger, W; Rucker, WM
      Fast BEM computations with the adaptive multilevel fast multipole method

      IEEE TRANSACTIONS ON MAGNETICS
    48. Sullivan, A; Damarla, R; Geng, N; Dong, Y; Carin, L
      Ultrawide-band synthetic aperture radar for detection of unexploded ordnance: Modeling and measurements

      IEEE TRANSACTIONS ON ANTENNAS AND PROPAGATION
    49. Ochsenfeld, C
      Linear scaling exchange gradients for Hartree-Fock and hybrid density functional theory

      CHEMICAL PHYSICS LETTERS
    50. Shao, YY; Head-Gordon, M
      An improved J matrix engine for density functional theory calculations

      CHEMICAL PHYSICS LETTERS
    51. Strittmatter, EF; Williams, ER
      Computational approach to the proton affinities of Gly(n) (n = 1-10)

      INTERNATIONAL JOURNAL OF MASS SPECTROMETRY
    52. Eibert, TF; Volakis, JL
      Adaptive integral method for hybrid FE/BI modelling of 3-D doubly periodicstructures

      IEE PROCEEDINGS-MICROWAVES ANTENNAS AND PROPAGATION
    53. Scuseria, GE
      Linear scaling density functional calculations with Gaussian orbitals

      JOURNAL OF PHYSICAL CHEMISTRY A
    54. Lyne, PD; Hodoscek, M; Karplus, M
      A hybrid QM-MM potential employing Hartree-Fock or density functional methods in the quantum region

      JOURNAL OF PHYSICAL CHEMISTRY A
    55. Friesner, RA; Murphy, RB; Beachy, MD; Ringnalda, MN; Pollard, WT; Dunietz, BD; Cao, YX
      Correlated ab initio electronic structure calculations for large molecules

      JOURNAL OF PHYSICAL CHEMISTRY A
    56. GRAMA A; KUMAR V; SAMEH A
      PARALLEL HIERARCHICAL SOLVERS AND PRECONDITIONERS FOR BOUNDARY-ELEMENT METHODS

      SIAM journal on scientific computing (Print)
    57. Edelman, A; McCorquodale, P; Toledo, S
      The future fast Fourier transform?

      SIAM JOURNAL ON SCIENTIFIC COMPUTING
    58. Darden, T; Perera, L; Li, LP; Pedersen, L
      New tricks for modelers from the crystallography toolkit: the particle mesh Ewald algorithm and its use in nucleic acid simulations

      STRUCTURE WITH FOLDING & DESIGN
    59. Nishimura, N; Yoshida, K; Kobayashi, S
      A fast multipole boundary integral equation method for crack problems in 3D

      ENGINEERING ANALYSIS WITH BOUNDARY ELEMENTS
    60. Kropinski, MCA
      Integral equation methods for particle simulations in creeping flows

      COMPUTERS & MATHEMATICS WITH APPLICATIONS
    61. Hu, J; Nie, ZP
      Solving electromagnetic scattering from two-dimensional cavity by FMM withcomplexifying k-technique

      MICROWAVE AND OPTICAL TECHNOLOGY LETTERS
    62. Helsing, J
      Fast and accurate numerical solution to an elastostatic problem involving ten thousand randomly oriented cracks

      INTERNATIONAL JOURNAL OF FRACTURE
    63. Bertram, HN; Seberino, C
      Numerical simulations of hysteresis in longitudinal magnetic tape

      JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS
    64. Hunenberger, PH; McCammon, JA
      Effect of artificial periodicity in simulations of biomolecules under Ewald boundary conditions: a continuum electrostatics study

      BIOPHYSICAL CHEMISTRY
    65. Adamson, RD; Dombroski, JP; Gill, PMW
      Efficient calculation of short-range Coulomb energies

      JOURNAL OF COMPUTATIONAL CHEMISTRY
    66. Rega, N; Cossi, M; Barone, V
      Improving performance of polarizable continuum model for study of large molecules in solution

      JOURNAL OF COMPUTATIONAL CHEMISTRY
    67. Schwichtenberg, H; Winter, G; Wallmeier, H
      Acceleration of molecular mechanic simulation by parallelization and fast multipole techniques

      PARALLEL COMPUTING
    68. Dapprich, S; Komaromi, I; Byun, KS; Morokuma, K; Frisch, MJ
      A new ONIOM implementation in Gaussian98. Part I. The calculation of energies, gradients, vibrational frequencies and electric field derivatives

      THEOCHEM-JOURNAL OF MOLECULAR STRUCTURE
    69. Koc, S; Song, JM; Chew, WC
      Error analysis for the numerical evaluation of the diagonal forms of the scalar spherical addition theorem

      SIAM JOURNAL ON NUMERICAL ANALYSIS
    70. Strack, ODL; Jankovic, I; Barnes, R
      The superblock approach for the analytic element method

      JOURNAL OF HYDROLOGY
    71. Cheng, H; Greengard, L; Rokhlin, V
      A fast adaptive multipole algorithm in three dimensions

      JOURNAL OF COMPUTATIONAL PHYSICS
    72. Ly, HV; Reitich, E; Jolly, MR; Banks, HT; Ito, K
      Simulations of particle dynamics in magnetorheological fluids

      JOURNAL OF COMPUTATIONAL PHYSICS
    73. Schlick, T; Skeel, RD; Brunger, AT; Kale, LV; Board, JA; Hermans, J; Schulten, K
      Algorithmic challenges in computational molecular biophysics

      JOURNAL OF COMPUTATIONAL PHYSICS
    74. Boschitsch, AH; Fenley, MO; Olson, WK
      A fast adaptive multipole algorithm for calculating screened Coulomb (Yukawa) interactions

      JOURNAL OF COMPUTATIONAL PHYSICS
    75. Martyna, GJ; Tuckerman, ME
      A reciprocal space based method for treating long range interactions in abinitio and force-field-based calculations in clusters

      JOURNAL OF CHEMICAL PHYSICS
    76. Challacombe, M
      A simplified density matrix minimization for linear scaling self-consistent field theory

      JOURNAL OF CHEMICAL PHYSICS
    77. Hunenberger, PH; McCammon, JA
      Ewald artifacts in computer simulations of ionic solvation and ion-ion interaction: A continuum electrostatics study

      JOURNAL OF CHEMICAL PHYSICS
    78. Sato, F; Yoshihiro, T; Okazaki, I; Kashiwagi, H
      An all-electron calculation of an antihypertensive protein with the Gaussian-based density functional method

      CHEMICAL PHYSICS LETTERS
    79. Mikami, M
      Accelerated molecular dynamics method

      MESOSCOPIC DYNAMICS OF FRACTURE
    80. CHEATHAM TE; BROOKS BR
      RECENT ADVANCES IN MOLECULAR-DYNAMICS SIMULATION TOWARDS THE REALISTIC REPRESENTATION OF BIOMOLECULES IN SOLUTION

      Theoretical Chemistry accounts ( Theoretical Chemistry accounts (Print))
    81. STRAJBL M; FLORIAN J
      DENSITY-FUNCTIONAL CALCULATIONS OF THE PSEUDOROTATIONAL FLEXIBILITY OF TETRAHYDROFURAN

      Theoretical chemistry accounts
    82. GOH SK; SOSA CP; STAMANT A
      A SCALABLE DIVIDE-AND-CONQUER ALGORITHM COMBINING COARSE AND FINE-GRAIN PARALLELIZATION

      Theoretical chemistry accounts
    83. HRYCAK T; ROKHLIN V
      AN IMPROVED FAST MULTIPOLE ALGORITHM FOR POTENTIAL FIELDS

      SIAM journal on scientific computing (Print)
    84. TENG SH
      PROVABLY GOOD PARTITIONING AND LOAD BALANCING ALGORITHMS FOR PARALLELADAPTIVE N-BODY SIMULATION

      SIAM journal on scientific computing
    85. BECKERS JVL; LOWE CP; DELEEUW SW
      AN ITERATIVE PPPM METHOD FOR SIMULATING COULOMBIC SYSTEMS ON DISTRIBUTED-MEMORY PARALLEL COMPUTERS

      Molecular simulation
    86. FU YH; KLIMKOWSKI KJ; RODIN GJ; BERGER E; BROWNE JC; SINGER JK; VANDEGEIJN RA; VEMAGANTI KS
      A FAST SOLUTION METHOD FOR 3-DIMENSIONAL MANY-PARTICLE PROBLEMS OF LINEAR ELASTICITY

      International journal for numerical methods in engineering
    87. LABREUCHE C
      A CONVERGENCE THEOREM FOR THE FAST MULTIPOLE METHOD FOR 2-DIMENSIONALSCATTERING PROBLEMS

      Mathematics of computation
    88. OCHSENFELD C; WHITE CA; HEADGORDON M
      LINEAR AND SUBLINEAR SCALING FORMATION OF HARTREE-FOCK-TYPE EXCHANGE MATRICES

      The Journal of chemical physics
    89. FARKAS O; SCHLEGEL HB
      METHODS FOR GEOMETRY OPTIMIZATION OF LARGE MOLECULES - I - AN O(N-2) ALGORITHM FOR SOLVING SYSTEMS OF LINEAR-EQUATIONS FOR THE TRANSFORMATION OF COORDINATES AND FORCES

      The Journal of chemical physics
    90. GOH SK; GALLANT RT; STAMANT A
      TOWARD LINEAR SCALING WITH FITTED EXCHANGE-CORRELATION TERMS IN THE LCGTO-DF METHOD VIA A DIVIDE-AND-CONQUER APPROACH

      International journal of quantum chemistry
    91. Bindiganavale, SS; Volakis, JL; Anastassiu, H
      Scattering from planar structures containing small features using the adaptive integral method (AIM)

      IEEE TRANSACTIONS ON ANTENNAS AND PROPAGATION
    92. Chen, F; Suter, D
      Fast evaluation of vector splines in three dimensions

      COMPUTING
    93. MORDASINI TZ; THIEL W
      COMBINED QUANTUM-MECHANICAL AND MOLECULAR MECHANICAL APPROACHES

      Chimia
    94. LEE AM
      INVESTIGATIONS OF THE CASE APPROXIMATION USING THE OPTIMAL PARTITION OF THE COULOMB OPERATOR

      Chemical physics letters
    95. BINDIGANAVALE SS; VOLAKIS JL
      COMPARISON OF 3 FMM TECHNIQUES FOR SOLVING HYBRID FE-BI SYSTEMS

      IEEE antennas & propagation magazine
    96. GOMEZ JE; POWER H
      A MULTIPOLE DIRECT AND INDIRECT BEM FOR 2D CAVITY FLOW AT LOW-REYNOLDS-NUMBER

      Engineering analysis with boundary elements
    97. EICHINGER M; GRUBMULLER H; HELLER H; TAVAN P
      FAMUSAMM - AN ALGORITHM FOR RAPID EVALUATION OF ELECTROSTATIC INTERACTIONS IN MOLECULAR-DYNAMICS SIMULATIONS

      Journal of computational chemistry
    98. BISHOP TC; SKEEL RD; SCHULTEN K
      DIFFICULTIES WITH MULTIPLE TIME-STEPPING AND FAST MULTIPOLE ALGORITHMIN MOLECULAR-DYNAMICS

      Journal of computational chemistry
    99. ADAMSON RD; GILL PMW
      EFFECTS OF COULOMB ATTENUATION ON CHEMICAL-PROPERTIES

      Journal of molecular structure. Theochem
    100. BAER R; HEADGORDON M
      SPARSITY OF THE DENSITY-MATRIX IN KOHN-SHAM DENSITY-FUNCTIONAL THEORYAND AN ASSESSMENT OF LINEAR SYSTEM-SIZE SCALING METHODS

      Physical review letters


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Documento generato il 20/10/20 alle ore 14:20:26