An efficient multigrid strategy for large-scale molecular mechanics optimization
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- scientific article; zbMATH DE number 2068044
Cites work
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- A Line Search Multigrid Method for Large-Scale Nonlinear Optimization
- A Multigrid Tutorial, Second Edition
- A New Conjugate Gradient Method with Guaranteed Descent and an Efficient Line Search
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- Algorithm 851
- An efficient multigrid method for molecular mechanics modeling in atomic solids
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- Atomistic-to-continuum coupling
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- Convergence of a Force-Based Hybrid Method in Three Dimensions
- Energy-based atomistic-to-continuum coupling without ghost forces
- Estimation of local modeling error and goal-oriented adaptive modeling of heterogeneous materials. I: Error estimates and adaptive algorithms
- Ghost force influence of a quasicontinuum method in two dimensions
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- Numerical methods for multilattices
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- Principles of multiscale modeling
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- The cascadic multigrid method for elliptic problems
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- Theoretical and numerical analysis for the quasi-continuum approximation of a material particle model
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Cited in
(11)- An inverse iteration method using multigrid for quantum chemistry
- SpaGrOW -- a derivative-free optimization scheme for intermolecular force field parameters based on sparse grid methods
- Evolutionary multi-objective optimization and Pareto-frontal uncertainty quantification of interatomic forcefields for thermal conductivity simulations
- Adaptive multigrid strategy for geometry optimization of large-scale three dimensional molecular mechanics
- An adaptive multigrid technique for evaluating long-range forces in biomolecular simulations
- Towards auto-tuning multi-site molecular dynamics simulations with autopas
- An efficient multigrid method for molecular mechanics modeling in atomic solids
- scientific article; zbMATH DE number 2068065 (Why is no real title available?)
- Application of optimization methods for finding equilibrium states of two-dimensional crystals
- An optimized algorithm for molecular dynamics simulation of large-scale systems
- Frequency Principle: Fourier Analysis Sheds Light on Deep Neural Networks
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