Numerical Analysis Publications

Publications in Numerical Analysis

Explore the most influential research papers and scholarly works that have shaped Numerical Analysis. Use the concept filter below to focus on a specific sub-area of research.

Numerical Analysis

246.3K

Publications

14.7M

Citations

Showing yearly statistics from 2000-2026.

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	Year	Citations
Generalized Gradient Approximation Made Simple John P. Perdew, Kieron Burke, Matthias Ernzerhof Physical Review Letters Numerical AnalysisEngineeringMachine LearningVariational AnalysisSimple Gga	1996	203.9K
Efficient iterative schemes for<i>ab initio</i>total-energy calculations using a plane-wave basis set Georg Kresse, J. Furthmüller Physical review. B, Condensed matter Numerical AnalysisEngineeringComputational ChemistryEnergy MinimizationEfficient Iterative Schemes	1996	116.1K
Special points for Brillouin-zone integrations Hendrik J. Monkhorst, J.D. Pack Physical review. B, Solid state Numerical AnalysisSpectral TheoryWave VectorBrillouin ZoneEngineering	1976	68.3K
Optimization by Simulated Annealing Scott Kirkpatrick, C. D. Gelatt, M.P. Vecchi Science Numerical AnalysisLarge-scale Global OptimizationComputational ScienceStatistical MechanicsEngineering	1983	44K
Equation of State Calculations by Fast Computing Machines N. Metropolis, Arianna W. Rosenbluth, M. N. Rosenbluth, The Journal of Chemical Physics Numerical AnalysisEngineeringMaterial SimulationComputational ChemistryComputational Mechanics	1953	36.5K
Particle mesh Ewald: An <i>N</i>⋅log(<i>N</i>) method for Ewald sums in large systems Tom Darden, Darrin M. York, Lee G. Pedersen The Journal of Chemical Physics Numerical AnalysisEngineeringElectrostatic EnergiesParticle MethodComputational Chemistry	1993	29.8K
A Simplex Method for Function Minimization J. A. Nelder, R. Mead The Computer Journal Numerical AnalysisMathematical ProgrammingLarge-scale Global OptimizationEngineeringUnconstrained Optimization	1965	28.5K
Effect of the damping function in dispersion corrected density functional theory Stefan Grimme, Stephan Ehrlich, Lars Goerigk Journal of Computational Chemistry Numerical AnalysisRational DampingEngineeringPhysicsNatural Sciences	2011	25.5K
A smooth particle mesh Ewald method Ulrich Essmann, L. Perera, Max L. Berkowitz, The Journal of Chemical Physics Numerical AnalysisEngineeringParticle MethodComputational ChemistryComputational Mechanics	1995	22.3K
Numerical integration of the cartesian equations of motion of a system with constraints: molecular dynamics of n-alkanes Jean-Paul Ryckaert, Giovanni Ciccotti, Herman J. C. Berendsen Journal of Computational Physics Numerical AnalysisCartesian EquationsEngineeringPhysicsNumerical Integration	1977	21.1K
Toward reliable density functional methods without adjustable parameters: The PBE0 model Carlo Adamo, Vincenzo Barone The Journal of Chemical Physics Numerical AnalysisEngineeringComputational ChemistryChemistryElectronic Structure	1999	18.3K
Numerical recipes in C: the art of scientific computing Choice Reviews Online Numerical AnalysisSpectral TheorySecond EditionNumerical ComputationEngineering	1993	18K

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