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1Academic Journal
المؤلفون: Qimen Xu, Abhiraj Sharma, Benjamin Comer, Hua Huang, Edmond Chow, Andrew J. Medford, John E. Pask, Phanish Suryanarayana
المصدر: SoftwareX, Vol 15, Iss , Pp 100709- (2021)
مصطلحات موضوعية: Kohn–Sham, Density functional theory, Electronic structure, Real-space, Finite-differences, Computer software, QA76.75-76.765
وصف الملف: electronic resource
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2
المؤلفون: Mandy Bethkenhagen, Abhiraj Sharma, Phanish Suryanarayana, John E. Pask, Babak Sadigh, Sebastien Hamel
المصدر: Physical Review E. 107
مصطلحات موضوعية: Plasma Physics (physics.plasm-ph), FOS: Physical sciences, Computational Physics (physics.comp-ph), Physics - Computational Physics, Physics - Plasma Physics
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3
مصطلحات موضوعية: Chemical Physics (physics.chem-ph), Hardware and Architecture, Physics - Chemical Physics, FOS: Physical sciences, General Physics and Astronomy, Computational Physics (physics.comp-ph), Physics - Computational Physics
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4
المؤلفون: John E. Pask, Alfredo A. Correa, Joel B. Varley, Philip C. Myint, Carrie Prisbrey, Christine J. Wu, Phanish Suryanarayana
المصدر: The Journal of Physical Chemistry A. 125:1610-1636
مصطلحات موضوعية: Equation of state, 010304 chemical physics, Ab initio, chemistry.chemical_element, Thermodynamics, 010402 general chemistry, 01 natural sciences, 0104 chemical sciences, Quadrature (mathematics), chemistry, Phase (matter), 0103 physical sciences, Compressibility, Isobar, Density functional theory, Physical and Theoretical Chemistry, Beryllium
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5
المؤلفون: Vincenzo Lordi, Amit Samanta, Tuan Anh Pham, John E. Pask, Kyoung E. Kweon, Mitchell T. Ong
المصدر: The Journal of Physical Chemistry C. 124:21985-21992
مصطلحات موضوعية: Work (thermodynamics), Materials science, Kinetics, Intercalation (chemistry), chemistry.chemical_element, 02 engineering and technology, Electrolyte, 010402 general chemistry, 021001 nanoscience & nanotechnology, 01 natural sciences, Energy storage, 0104 chemical sciences, Surfaces, Coatings and Films, Electronic, Optical and Magnetic Materials, General Energy, chemistry, Chemical engineering, Lithium, Graphite, Physical and Theoretical Chemistry, 0210 nano-technology, Ion intercalation
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6
المؤلفون: Rajendra R. Zope, Carlos Diaz, Qimen Xu, Phanish Suryanarayana, Tunna Baruah, John E. Pask
المصدر: The Journal of chemical physics. 154(8)
مصطلحات موضوعية: Physics, Condensed Matter - Materials Science, 010304 chemical physics, Gaussian, General Physics and Astronomy, 010402 general chemistry, Space (mathematics), 01 natural sciences, 0104 chemical sciences, Computational physics, symbols.namesake, Atomic orbital, Physics - Chemical Physics, Ionization, 0103 physical sciences, Convergence (routing), Physics::Atomic and Molecular Clusters, symbols, Physical and Theoretical Chemistry, Scaling, Fermi Gamma-ray Space Telescope
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7
المؤلفون: Qimen Xu, Xin Jing, Boqin Zhang, John E. Pask, Phanish Suryanarayana
مصطلحات موضوعية: Chemical Physics (physics.chem-ph), Physics - Chemical Physics, General Physics and Astronomy, FOS: Physical sciences, Physical and Theoretical Chemistry, Computational Physics (physics.comp-ph), Physics - Computational Physics
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8Academic Journal
المؤلفون: Yunfeng Cai, Zhaojun Bai, John E. Pask, N. Sukumar
المساهمون: The Pennsylvania State University CiteSeerX Archives
وصف الملف: application/pdf
Relation: http://citeseerx.ist.psu.edu/viewdoc/summary?doi=10.1.1.250.5509; http://www.cs.ucdavis.edu/%7Ebai/publications/caibaipasksuku12.pdf
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9
المؤلفون: N. Sukumar, Clelia Albrecht, Albert Ziegenhagel, Constanze Klaar, John E. Pask, Marc Alexander Schweitzer
المصدر: Computer Methods in Applied Mechanics and Engineering. 342:224-239
مصطلحات موضوعية: Condensed Matter - Materials Science, Weight function, Mechanical Engineering, Computational Mechanics, General Physics and Astronomy, 010103 numerical & computational mathematics, Eigenfunction, 01 natural sciences, Finite element method, Computer Science Applications, Schrödinger equation, 010101 applied mathematics, Matrix (mathematics), symbols.namesake, Partition of unity, Mechanics of Materials, symbols, Applied mathematics, 0101 mathematics, Physics - Computational Physics, Legendre polynomials, Eigenvalues and eigenvectors, Mathematics
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10
المؤلفون: Lin Lin, Chao Yang, Phanish Suryanarayana, John E. Pask, Amartya S. Banerjee
المصدر: Journal of Chemical Theory and Computation. 14:2930-2946
مصطلحات موضوعية: Physics, Chebyshev polynomials, Computation, Chebyshev iteration, 02 engineering and technology, Electronic structure, 021001 nanoscience & nanotechnology, Topology, 01 natural sciences, Chebyshev filter, Computer Science Applications, symbols.namesake, Discontinuous Galerkin method, 0103 physical sciences, symbols, Physical and Theoretical Chemistry, 010306 general physics, 0210 nano-technology, Hamiltonian (quantum mechanics), Subspace topology
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11
المؤلفون: John E. Pask, Peer-Timo Bremer, Harsh Bhatia, Vincenzo Lordi, Valerio Pascucci, Attila Gyulassy
المصدر: Journal of Computational Chemistry. 39:936-952
مصطلحات موضوعية: Computer science, business.industry, Computation, Atoms in molecules, 020207 software engineering, 02 engineering and technology, General Chemistry, 010402 general chemistry, Topology, 01 natural sciences, 0104 chemical sciences, Computational Mathematics, chemistry.chemical_compound, Computational topology, chemistry, Lattice (order), Scalability, 0202 electrical engineering, electronic engineering, information engineering, Topological consistency, Molecular graph, business, Graphical user interface
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12
المصدر: Computer Physics Communications. 224:288-298
مصطلحات موضوعية: Discretization, Mathematical analysis, General Physics and Astronomy, Kohn–Sham equations, Bilinear form, 01 natural sciences, 010305 fluids & plasmas, Quadrature (mathematics), Hardware and Architecture, 0103 physical sciences, Nyström method, Verlet integration, Density functional theory, Statistical physics, Local-density approximation, 010306 general physics, Mathematics
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13
المؤلفون: John E. Pask, Kyoung E. Kweon, Amit Samanta, Tuan Anh Pham, Vincenzo Lordi
المصدر: The Journal of Physical Chemistry C. 121:21913-21920
مصطلحات موضوعية: Chemistry, Diffusion, Sodium, Solvation, chemistry.chemical_element, 02 engineering and technology, Electrolyte, 010402 general chemistry, 021001 nanoscience & nanotechnology, 01 natural sciences, 0104 chemical sciences, Surfaces, Coatings and Films, Electronic, Optical and Magnetic Materials, Ion, chemistry.chemical_compound, Molecular dynamics, General Energy, Solvation shell, Computational chemistry, Physical chemistry, Physical and Theoretical Chemistry, 0210 nano-technology, Ethylene carbonate
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14
المؤلفون: John E. Pask, Lin Lin, Gaigong Zhang, Chao Yang, Wei Hu
المصدر: Journal of Computational Physics. 335:426-443
مصطلحات موضوعية: Physics, Numerical Analysis, Physics and Astronomy (miscellaneous), Basis (linear algebra), Applied Mathematics, Kohn–Sham equations, Basis function, Energy minimization, 01 natural sciences, Computer Science Applications, 010101 applied mathematics, Pseudopotential, Computational Mathematics, Molecular dynamics, Modeling and Simulation, 0103 physical sciences, Density functional theory, Statistical physics, 0101 mathematics, 010306 general physics, Basis set
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15
المؤلفون: Mitchell T. Ong, Attila Gyulassy, Harsh Bhatia, John E. Pask, Erik W. Draeger, Valerio Pascucci, Vincenzo Lordi, Peer-Timo Bremer
المصدر: The Journal of Physical Chemistry C. 121:6589-6595
مصطلحات موضوعية: chemistry.chemical_classification, Battery (electricity), Inorganic chemistry, Solvation, Ionic bonding, 02 engineering and technology, Electrolyte, 010402 general chemistry, 021001 nanoscience & nanotechnology, 01 natural sciences, 0104 chemical sciences, Surfaces, Coatings and Films, Electronic, Optical and Magnetic Materials, Ion, Molecular dynamics, General Energy, chemistry, Chemical physics, Physics::Atomic and Molecular Clusters, Ionic conductivity, Physical and Theoretical Chemistry, Counterion, 0210 nano-technology
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16
المؤلفون: Andrew J. Medford, Benjamin M. Comer, Edmond Chow, Abhiraj Sharma, John E. Pask, Qimen Xu, Phanish Suryanarayana, Hua Huang
المصدر: SoftwareX, Vol 15, Iss, Pp 100709-(2021)
مصطلحات موضوعية: Electronic structure, Kohn–Sham, Real-space, Plane wave, Ab initio, Kohn–Sham equations, FOS: Physical sciences, Space (mathematics), 01 natural sciences, QA76.75-76.765, 03 medical and health sciences, Finite-differences, 0103 physical sciences, Computer software, 010306 general physics, 030304 developmental biology, Physics, 0303 health sciences, Condensed Matter - Materials Science, Finite difference, Materials Science (cond-mat.mtrl-sci), Computational Physics (physics.comp-ph), Computer Science Applications, Computational physics, Density functional theory, Physics - Computational Physics, Software, Order of magnitude
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17
مصطلحات موضوعية: Density matrix, Physics, Chemical Physics (physics.chem-ph), Parallelizable manifold, 010304 chemical physics, Cauchy stress tensor, Mathematical analysis, General Physics and Astronomy, FOS: Physical sciences, Computational Physics (physics.comp-ph), 010402 general chemistry, Space (mathematics), 01 natural sciences, 0104 chemical sciences, Quadrature (mathematics), Brillouin zone, Distribution (mathematics), Physics - Chemical Physics, 0103 physical sciences, Density functional theory, Physical and Theoretical Chemistry, Physics - Computational Physics
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18
المؤلفون: Art J. Nelson, Shuai Zhang, Federica Coppari, John E. Pask, Heather D. Whitley, Burkhard Militzer, Kyle Caspersen, Damian Swift, Duane D. Johnson, Philip A. Sterne, Amy Lazicki, Markus Däne, Richard A. London, Abhiraj Sharma, Jim Gaffney, Phanish Suryanarayana, Joseph Nilsen, W. R. Johnson, David J. Erskine, Lin H. Yang, Andrey V. Smirnov
المصدر: Physical Review B. 99
مصطلحات موضوعية: Physics, Internal energy, Equation of state (cosmology), Operator (physics), 02 engineering and technology, Electronic structure, 021001 nanoscience & nanotechnology, 01 natural sciences, Computational physics, Pseudopotential, 0103 physical sciences, Density functional theory, 010306 general physics, 0210 nano-technology, Energy (signal processing), Path integral Monte Carlo
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19
المؤلفون: Natalie Kostinski, John E. Pask, Jim Gaffney, Hai P. Le, Richard A. London, Zachary B. Walters, Brandon Lahmann, Lin Yang, Heather D. Whitley, Joseph Nilsen, J. Pino, Charles Yeamans, Ronnie Shepherd, Andrea Kritcher, John E. Klepeis, Michael Rubery, P. W. McKenty, R. Stephen Craxton, Brent Blue, Kyle Caspersen, Marilyn Schneider, Frank Graziani, Brian Maddox, Tadashi Ogitsu, Shuai Zhang, G. Elijah Kemp, Markus Däne, Amy Lazicki, Abbas Nikroo, M. C. Marshall, Damian Swift, E. M. Garcia, C. Leland Ellison, Philip A. Sterne, Madison E. Martin, Warren Garbett, Maria Gatu-Johnson, Burkhard Militzer, John I. Castor
المصدر: High Energy Density Physics. 38:100928
مصطلحات موضوعية: Nuclear and High Energy Physics, Radiation, Materials science, Nuclear engineering, FOS: Physical sciences, Implosion, chemistry.chemical_element, Boron carbide, Computational Physics (physics.comp-ph), 01 natural sciences, Physics - Plasma Physics, 010305 fluids & plasmas, Plasma Physics (physics.plasm-ph), chemistry.chemical_compound, chemistry, Boron nitride, 0103 physical sciences, Neutron source, Area density, 010306 general physics, National Ignition Facility, Boron, Physics - Computational Physics, Inertial confinement fusion
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20
المؤلفون: Phanisri P. Pratapa, Phanish Suryanarayana, John E. Pask
المصدر: Computer Physics Communications. 200:96-107
مصطلحات موضوعية: Physics, Finite difference, General Physics and Astronomy, 02 engineering and technology, Electronic structure, Bilinear form, 021001 nanoscience & nanotechnology, 01 natural sciences, Quadrature (mathematics), Hardware and Architecture, Quantum mechanics, 0103 physical sciences, Linear scale, Nyström method, Density functional theory, Statistical physics, 010306 general physics, 0210 nano-technology, Electronic density
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