Lin-Wang Wang

According to our database1, Lin-Wang Wang authored at least 19 papers between 2005 and 2019.

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Bibliography

2019
Parallel transport time-dependent density functional theory calculations with hybrid functional on summit.
Proceedings of the International Conference for High Performance Computing, 2019

2017
GPU implementation of the linear scaling three dimensional fragment method for large scale electronic structure calculations.
Comput. Phys. Commun., 2017

SGO: A fast engine for ab initio atomic structure global optimization by differential evolution.
Comput. Phys. Commun., 2017

2016
A systematic fitting procedure for accurate force field models to reproduce ab initio phonon spectra of nanostructures.
Comput. Phys. Commun., 2016

2013
Fast plane wave density functional theory molecular dynamics calculations on multi-GPU machines.
J. Comput. Phys., 2013

A small box Fast Fourier Transformation method for fast Poisson solutions in large systems.
Comput. Phys. Commun., 2013

The analysis of a plane wave pseudopotential density functional theory code on a GPU machine.
Comput. Phys. Commun., 2013

2011
Large scale plane wave pseudopotential density functional theory calculations on GPU clusters.
Proceedings of the Conference on High Performance Computing Networking, 2011

2010
Adaptive Projection Subspace Dimension for the Thick-Restart Lanczos Method.
ACM Trans. Math. Softw., 2010

2009
KSSOLV - a MATLAB toolbox for solving the Kohn-Sham equations.
ACM Trans. Math. Softw., 2009

A Comparison of Different Communication Structures for Scalable Parallel Three Dimensional FFTs in First Principles Codes.
Proceedings of the Parallel Computing: From Multicores and GPU's to Petascale, 2009

2008
State-of-the-art eigensolvers for electronic structure calculations of large scale nano-systems.
J. Comput. Phys., 2008

Linearly scaling 3D fragment method for large-scale electronic structure calculations.
Proceedings of the ACM/IEEE Conference on High Performance Computing, 2008

2007
A Trust Region Direct Constrained Minimization Algorithm for the Kohn-Sham Equation.
SIAM J. Sci. Comput., 2007

The use of bulk states to accelerate the band edge state calculation of a semiconductor quantum dot.
J. Comput. Phys., 2007

Surface passivation optimization using DIRECT.
J. Comput. Phys., 2007

2006
A constrained optimization algorithm for total energy minimization in electronic structure calculations.
J. Comput. Phys., 2006

Conjugate-gradient eigenvalue solvers in computing electronic properties of nanostructure architectures.
Int. J. Comput. Sci. Eng., 2006

2005
Comparison of Nonlinear Conjugate-Gradient Methods for Computing the Electronic Properties of Nanostructure Architectures.
Proceedings of the Computational Science, 2005


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