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La ricerca find articoli where soggetti phrase all words 'PERIODIC BOUNDARY-CONDITIONS' sort by level,fasc_key/DESCEND, pagina_ini_num/ASCEND ha restituito 136 riferimenti
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    1. Allen, R; Hansen, JP; Melchionna, S
      Electrostatic potential inside ionic solutions confined by dielectrics: a variational approach

      PHYSICAL CHEMISTRY CHEMICAL PHYSICS
    2. Dijkstra, M
      Computer simulations of charge and steric stabilised colloidal suspensions

      CURRENT OPINION IN COLLOID & INTERFACE SCIENCE
    3. Pliego, JR; Riveros, JM
      The cluster-continuum model for the calculation of the solvation free energy of ionic species

      JOURNAL OF PHYSICAL CHEMISTRY A
    4. DeWitt, H; Slattery, W; Baiko, D; Yakovlev, D
      Harmonic lattice theory of Coulomb solids and comparison with Monte Carlo simulations

      CONTRIBUTIONS TO PLASMA PHYSICS
    5. Qian, XL; Strahs, D; Schlick, T
      A new program for optimizing periodic boundary models of solvated biomolecules (PBCAID)

      JOURNAL OF COMPUTATIONAL CHEMISTRY
    6. Boileau, J; Slater, GW
      An exactly solvable Ogston model of gel electrophoresis - VI. Towards a theory for macromolecules

      ELECTROPHORESIS
    7. Mercier, JF; Tessier, F; Slater, GW
      An exactly solvable Ogston model of gel electrophoresis: VIII. Nonconducting gel fibers, curved field lines, and the Nernst-Einstein relation

      ELECTROPHORESIS
    8. Leung, K
      First-principles study of Ca2+ and Mn2+ substituents in KTaO3 - art. no. 134415

      PHYSICAL REVIEW B
    9. De Schepper, H
      A finite element method for differential eigenvalue problems with mixed classical and (semi-)periodic boundary conditions

      APPLIED MATHEMATICS AND COMPUTATION
    10. Takac, P
      Bifurcations and vortex formation in the Ginzburg-Landau equations

      ZEITSCHRIFT FUR ANGEWANDTE MATHEMATIK UND MECHANIK
    11. Foulkes, WMC; Mitas, L; Needs, RJ; Rajagopal, G
      Quantum Monte Carlo simulations of solids

      REVIEWS OF MODERN PHYSICS
    12. Mercier, JF; Slater, GW
      An exactly solvable ogston model of gel electrophoresis. 7. Diffusion and mobility of hard spherical particles in three-dimensional gels

      MACROMOLECULES
    13. Lozovoi, AY; Alavi, A; Kohanoff, J; Lynden-Bell, RM
      Ab initio simulation of charged slabs at constant chemical potential

      JOURNAL OF CHEMICAL PHYSICS
    14. Boresch, S; Steinhauser, O
      The dielectric self-consistent field method. II. Application to the study of finite range effects

      JOURNAL OF CHEMICAL PHYSICS
    15. Aguado, A; Wilson, M; Madden, PA
      Molecular dynamics simulations of the liquid-vapor interface of a molten salt. I. Influence of the interaction potential

      JOURNAL OF CHEMICAL PHYSICS
    16. Pask, JE; Klein, BM; Sterne, PA; Fong, CY
      Finite-element methods in electronic-structure theory

      COMPUTER PHYSICS COMMUNICATIONS
    17. Pliego, JR; Riveros, JM
      On the calculation of the absolute solvation free energy of ionic species:Application of the extrapolation method to the hydroxide ion in aqueous solution

      JOURNAL OF PHYSICAL CHEMISTRY B
    18. Ohta, H; Hamaguchi, S
      Molecular dynamics evaluation of self-diffusion in Yukawa systems

      PHYSICS OF PLASMAS
    19. Davis, AC; Kibble, TWB; Rajantie, A; Shanahan, HP
      Topological defects in lattice gauge theories

      JOURNAL OF HIGH ENERGY PHYSICS
    20. Franco, D; Nieto, JJ
      First-order impulsive ordinary differential equations with anti-periodic and nonlinear boundary conditions

      NONLINEAR ANALYSIS-THEORY METHODS & APPLICATIONS
    21. Tian, LX; Chu, ZJ; Liu, ZR; Jiang, Y
      Numerical analysis of longtime dynamic behavior in weakly damped forced KdV equation

      APPLIED MATHEMATICS AND MECHANICS-ENGLISH EDITION
    22. Ghiotto, RCT; Malvezzi, AL
      Bethe ansatz solutions for Temperley-Lieb quantum spin chains

      INTERNATIONAL JOURNAL OF MODERN PHYSICS A
    23. Hibberd, K; Roditi, I; Links, J; Foerster, A
      Bethe Ansatz solution of the closed anisotropic supersymmetric U model with quantum supersymmetry

      MODERN PHYSICS LETTERS A
    24. Amisaki, T
      Precise and efficient Ewald summation for periodic fast multipole method

      JOURNAL OF COMPUTATIONAL CHEMISTRY
    25. Curilef, S
      Nonextensive microscopic behavior of long-range interacting particles in periodic media

      INTERNATIONAL JOURNAL OF MODERN PHYSICS C
    26. Lubary, JA; de Sola-Morales, J
      Some non-selfadjoint problems on the circle

      ZEITSCHRIFT FUR ANGEWANDTE MATHEMATIK UND PHYSIK
    27. Fangohr, H; Price, AR; Cox, SJ; de Groot, PAJ; Daniell, GJ; Thomas, KS
      Efficient methods for handling long-range forces in particle-particle simulations

      JOURNAL OF COMPUTATIONAL PHYSICS
    28. Duan, ZH; Krasny, R
      An Ewald summation based multipole method

      JOURNAL OF CHEMICAL PHYSICS
    29. Mercier, JF; Slater, GW
      Random walk and diffusion of hard spherical particles in quenched systems:Reaching the continuum limit on a lattice

      JOURNAL OF CHEMICAL PHYSICS
    30. Gray-Weale, A; Madden, PA; Wilson, M
      Induced-dipole contributions to the conductivity and dielectric response of molten ZnCl2

      JOURNAL OF CHEMICAL PHYSICS
    31. Klapp, SHL; Patey, GN
      Integral equation theory for dipolar hard sphere fluids with fluctuating orientational order

      JOURNAL OF CHEMICAL PHYSICS
    32. Crozier, PS; Rowley, RL; Spohr, E; Henderson, D
      Comparison of charged sheets and corrected 3D Ewald calculations of long-range forces in slab geometry electrolyte systems with solvent molecules

      JOURNAL OF CHEMICAL PHYSICS
    33. Terada, K; Hori, M; Kyoya, T; Kikuchi, N
      Simulation of the multi-scale convergence in computational homogenization approaches

      INTERNATIONAL JOURNAL OF SOLIDS AND STRUCTURES
    34. Kantorovich, LN
      Application of the group function theory to infinite systems

      INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY
    35. Holter, H; Chio, TH; Schaubert, DH
      Experimental results of 144-element dual-polarized endfire tapered-slot phased arrays

      IEEE TRANSACTIONS ON ANTENNAS AND PROPAGATION
    36. Holloway, CL; Kuester, EE
      Impedance-type boundary conditions for a periodic interface between a dielectric and a highly conducting medium

      IEEE TRANSACTIONS ON ANTENNAS AND PROPAGATION
    37. De Schepper, H
      Finite element methods for eigenvalue problems on a rectangle with (semi-)periodic boundary conditions on a pair of adjacent sides

      COMPUTING
    38. Morgan, DL; Neely, JR; Vantine, HC
      Periodic boundary conditions in a 3D hydro code

      COMPUTER PHYSICS COMMUNICATIONS
    39. Lento, J; Pesola, M; Mozos, JL; Nieminen, RM
      Vacancies in SiGe: Jahn-Teller distortion and spin effects

      APPLIED PHYSICS LETTERS
    40. Bergman, DL; Lyubartsev, AP; Laaksonen, A
      Topological and spatial aspects of the hydration of solutes of extreme solvation entropy

      PHYSICAL REVIEW E
    41. Sagui, C; Darden, TA
      Molecular dynamics simulations of biomolecules: Long-range electrostatic effects

      ANNUAL REVIEW OF BIOPHYSICS AND BIOMOLECULAR STRUCTURE
    42. Sauleau, R; Coquet, P; Daniel, JP; Matsui, T; Hirose, N
      Analysis of millimeter-wave Fabry-Perot cavities using the FDTD technique

      IEEE MICROWAVE AND GUIDED WAVE LETTERS
    43. Kantorovich, LN; Tupitsyn, II
      Coulomb potential inside a large finite crystal

      JOURNAL OF PHYSICS-CONDENSED MATTER
    44. Schwarz, K; Nusterer, E; Blochl, PE
      First-principles molecular dynamics study of small molecules in zeolites

      CATALYSIS TODAY
    45. Sauleau, R; Thouroude, D; Coquet, P; Daniel, JP; Matsui, T
      Implementation of conductor losses in an FDTD algorithm combined with floquet boundary conditions: Application to the study of millimeter-wave resonant cavities

      MICROWAVE AND OPTICAL TECHNOLOGY LETTERS
    46. Feng, NN; Zhou, GR; Fang, DG
      Modified method of lines for open microstrip structures with finite metallization thickness and conductivity

      MICROWAVE AND OPTICAL TECHNOLOGY LETTERS
    47. Holland, K
      Confinement in the deconfined phase: A numerical study with a cluster algorithm - art. no. 074022

      PHYSICAL REVIEW D
    48. Schweitzer, L; Potempa, H
      Influence of boundary conditions on level statistics and eigenstates at the metal-insulator transition

      PHYSICA A
    49. Wirosoetisno, D; Shepherd, TG
      Nonlinear stability of Euler flows in two-dimensional periodic domains

      GEOPHYSICAL AND ASTROPHYSICAL FLUID DYNAMICS
    50. Hunenberger, PH; McCammon, JA
      Effect of artificial periodicity in simulations of biomolecules under Ewald boundary conditions: a continuum electrostatics study

      BIOPHYSICAL CHEMISTRY
    51. Sauleau, R; Thouroude, D; Coquet, P; Daniel, JP
      Theoretical reflection coefficient of metal grid reflectors at a dielectric interface

      INTERNATIONAL JOURNAL OF INFRARED AND MILLIMETER WAVES
    52. Condon, DJ
      Corrected finite difference eigenvalues of periodic Sturm-Liouville problems

      APPLIED NUMERICAL MATHEMATICS
    53. Kent, PRC; Hood, RQ; Williamson, AJ; Needs, RJ; Foulkes, WMC; Rajagopal, G
      Finite-size errors in quantum many-body simulations of extended systems

      PHYSICAL REVIEW B-CONDENSED MATTER
    54. Weichsel, JI
      Pattern formation under various tiling rules

      COMPUTERS & GRAPHICS-UK
    55. Pilyugin, SS; Waltman, P
      Competition in the unstirred chemostat with periodic input and washout

      SIAM JOURNAL ON APPLIED MATHEMATICS
    56. Ashbaugh, HS
      Influence of potential truncation on anisotropic systems

      MOLECULAR PHYSICS
    57. Links, J; Foerster, A; Karowski, M
      Bethe ansatz solution of a closed spin 1 XXZ Heisenberg chain with quantumalgebra symmetry

      JOURNAL OF MATHEMATICAL PHYSICS
    58. Atici, FM; Guseinov, GS
      Positive periodic solutions for nonlinear difference equations with periodic coefficients

      JOURNAL OF MATHEMATICAL ANALYSIS AND APPLICATIONS
    59. Yeh, IC; Berkowitz, ML
      Ewald summation for systems with slab geometry

      JOURNAL OF CHEMICAL PHYSICS
    60. Chandra, A; Ichiye, T
      Dynamical properties of the soft sticky dipole model of water: Molecular dynamics simulations

      JOURNAL OF CHEMICAL PHYSICS
    61. Senapati, S; Chandra, A
      Molecular dynamics simulations of simple dipolar liquids in spherical cavity: Effects of confinement on structural, dielectric, and dynamical properties

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

      JOURNAL OF CHEMICAL PHYSICS
    63. Jardat, M; Bernard, O; Turq, P; Kneller, GR
      Transport coefficients of electrolyte solutions from Smart Brownian dynamics simulations

      JOURNAL OF CHEMICAL PHYSICS
    64. Sahimi, MS; Sundararajan, E; Hanawi, SA
      The iterative alternating decomposition explicit (IADE) method to solve second order parabolic equations with periodic boundary conditions

      INTERNATIONAL JOURNAL OF COMPUTER MATHEMATICS
    65. SAKANE S; ASHBAUGH HS; WOOD RH
      CONTINUUM CORRECTIONS TO THE POLARIZATION AND THERMODYNAMIC PROPERTIES OF EWALD SUM SIMULATIONS FOR IONS AND ION-PAIRS AT INFINITE DILUTION

      JOURNAL OF PHYSICAL CHEMISTRY B
    66. 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))
    67. HUMMER G; PRATT LR; GARCIA AE
      MOLECULAR THEORIES AND SIMULATION OF IONS AND POLAR-MOLECULES IN WATER

      The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory
    68. HOLLAND K; WIESE UJ
      QUARK CONFINEMENT IN THE DECONFINED PHASE

      Nuclear physics. B, Proceedings supplement
    69. Pallua, S; Prester, P
      Closed SU(2)q invariant spin chain and its operator content - art. no. 127901

      PHYSICAL REVIEW D
    70. Zapletal, A
      Difference equations and highest-weight modules of U-q[sl(n)]

      JOURNAL OF PHYSICS A-MATHEMATICAL AND GENERAL
    71. LIMASANTOS A; RODITI I; FOERSTER A
      BETHE-ANSATZ SOLUTION OF THE ANISOTROPIC CORRELATED ELECTRON MODEL ASSOCIATED WITH THE TEMPERLEY-LIEB ALGEBRA

      International journal of modern physics A
    72. PAPA ARR
      UNPHYSICAL FROZEN STATES IN MONTE-CARLO SIMULATION OF 2D ISING-MODEL

      International journal of modern physics C
    73. HOUSSA M; OUALID A; RULL LF
      REACTION FIELD AND EWALD SUMMATION STUDY OF MESOPHASE FORMATION IN DIPOLAR GAY-BERNE MODEL

      Molecular physics
    74. ZHU H; SANKAR BV; MARREY RV
      EVALUATION OF FAILURE CRITERIA FOR FIBER COMPOSITES USING FINITE-ELEMENT MICROMECHANICS

      Journal of composite materials
    75. LOBASKIN V; LINSE P
      ACCURATE SIMULATION OF HIGHLY ASYMMETRIC ELECTROLYTES WITH CHARGE ASYMMETRY-20 1 AND ASYMMETRY-20/2/

      The Journal of chemical physics
    76. HUMMER G; GRONBECHJENSEN N; NEUMANN M
      PRESSURE CALCULATION IN POLAR AND CHARGED SYSTEMS USING EWALD SUMMATION - RESULTS FOR THE EXTENDED SIMPLE POINT-CHARGE MODEL OF WATER

      The Journal of chemical physics
    77. HUNENBERGER PH; VANGUNSTEREN WF
      ALTERNATIVE SCHEMES FOR THE INCLUSION OF A REACTION-FIELD CORRECTION INTO MOLECULAR-DYNAMICS SIMULATIONS - INFLUENCE ON THE SIMULATED ENERGETIC, STRUCTURAL, AND DIELECTRIC-PROPERTIES OF LIQUID WATER

      The Journal of chemical physics
    78. SMITH PE; BLATT HD; PETTITT BM
      ON THE PRESENCE OF ROTATIONAL EWALD ARTIFACTS IN THE EQUILIBRIUM AND DYNAMICAL PROPERTIES OF A ZWITTERIONIC TETRAPEPTIDE IN AQUEOUS-SOLUTION

      JOURNAL OF PHYSICAL CHEMISTRY B
    79. HUMMER G; PRATT LR; GARCIA AE; BERNE BJ; RICK SW
      ELECTROSTATIC POTENTIALS AND FREE-ENERGIES OF SOLVATION OF POLAR AND CHARGED MOLECULES

      JOURNAL OF PHYSICAL CHEMISTRY B
    80. DIN XD; MICHAELIDES EE
      CALCULATION OF LONG-RANGE INTERACTIONS IN MOLECULAR-DYNAMICS AND MONTE-CARLO SIMULATIONS

      The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory
    81. MANZAN M; COMINI G; CORTELLA G
      A STREAMFUNCTION-VORTICITY FORMULATION OF SPATIALLY PERIODIC FLOWS

      Communications in numerical methods in engineering
    82. HAMAGUCHI S; FAROUKI RT; DUBIN DHE
      TRIPLE POINT OF YUKAWA SYSTEMS

      Physical review. E, Statistical physics, plasmas, fluids, and related interdisciplinary topics
    83. AYTON G; GINGRAS MJP; PATEY GN
      FERROELECTRIC AND DIPOLAR GLASS PHASES OF NONCRYSTALLINE SYSTEMS

      Physical review. E, Statistical physics, plasmas, fluids, and related interdisciplinary topics
    84. WANG LB; TAO WQ
      NUMERICAL-ANALYSIS ON HEAT-TRANSFER AND FLUID-FLOW FOR ARRAYS OF NONUNIFORM PLATE LENGTH ALIGNED AT ANGLES TO THE FLOW DIRECTION

      INTERNATIONAL JOURNAL OF NUMERICAL METHODS FOR HEAT & FLUID FLOW
    85. DENTON AR; EGELSTAFF PA
      IMPLICIT FINITE-SIZE EFFECTS IN COMPUTER-SIMULATIONS

      Zeitschrift fur Physik. B, Condensed matter
    86. EJIRI S
      MONOPOLE CONDENSATION AND POLYAKOV LOOP IN FINITE-TEMPERATURE PURE QCD

      Nuclear physics. B
    87. LINKS J; FOERSTER A
      ON THE CONSTRUCTION OF INTEGRABLE CLOSED CHAINS WITH QUANTUM SUPERSYMMETRY

      Journal of physics. A, mathematical and general
    88. FOERSTER A; LINKS J; RODITI I
      ANISOTROPIC CORRELATED ELECTRON MODEL ASSOCIATED WITH THE TEMPERLEY-LIEB-ALGEBRA

      Modern physics letters A
    89. BEKKER H
      UNIFICATION OF BOX SHAPES IN MOLECULAR SIMULATIONS

      Journal of computational chemistry
    90. MARTIN RM; ORTIZ G
      FUNCTIONAL THEORY OF EXTENDED COULOMB-SYSTEMS

      Physical review. B, Condensed matter
    91. JARVIS MR; WHITE ID; GODBY RW; PAYNE MC
      SUPERCELL TECHNIQUE FOR TOTAL-ENERGY CALCULATIONS OF FINITE CHARGED AND POLAR SYSTEMS

      Physical review. B, Condensed matter
    92. GILVILLEGAS A; MCGROTHER SC; JACKSON G
      REACTION-FIELD AND EWALD SUMMATION METHODS IN MONTE-CARLO SIMULATIONSOF DIPOLAR LIQUID-CRYSTALS

      Molecular physics
    93. GAO JL; ALHAMBRA C
      A HYBRID SEMIEMPIRICAL QUANTUM-MECHANICAL AND LATTICE-SUM METHOD FOR ELECTROSTATIC INTERACTIONS IN FLUID SIMULATIONS

      The Journal of chemical physics
    94. GAO GT; ZENG XC; WANG WC
      VAPOR-LIQUID COEXISTENCE OF QUASI-2-DIMENSIONAL STOCKMAYER FLUIDS

      The Journal of chemical physics
    95. ASHBAUGH HS; WOOD RH
      EFFECTS OF LONG-RANGE ELECTROSTATIC POTENTIAL TRUNCATION ON THE FREE-ENERGY OF IONIC HYDRATION

      The Journal of chemical physics
    96. MAZIN II; COHEN RE
      NOTES ON THE STATIC DIELECTRIC RESPONSE FUNCTION IN THE DENSITY-FUNCTIONAL THEORY

      Ferroelectrics
    97. RAVICHANDRAN S; BAGCHI B
      ORIENTATIONAL RELAXATION IN A RANDOM DIPOLAR LATTICE - WAVE-NUMBER AND FREQUENCY-DEPENDENCE

      Physical review. E, Statistical physics, plasmas, fluids, and related interdisciplinary topics
    98. GRONBECHJENSEN N
      SUMMATION OF LOGARITHMIC INTERACTIONS IN PERIODIC MEDIA

      International journal of modern physics C
    99. BARBU V; PAVEL NH
      PERIODIC OPTIMAL-CONTROL IN HILBERT-SPACE

      Applied mathematics & optimization
    100. WOLLMAN S; OZIZMIR E
      NUMERICAL APPROXIMATION OF THE ONE-DIMENSIONAL VLASOV-POISSON SYSTEM WITH PERIODIC BOUNDARY-CONDITIONS

      SIAM journal on numerical analysis


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Documento generato il 16/01/21 alle ore 06:41:02