Parallel empirical pseudopotential electronic structure calculations for million atom systems

Analyzing Ultra-Scale Application Communication Requirements for a Reconfigurable Hybrid Interconnect

SC '05 Proceedings of the 2005 ACM/IEEE conference on Supercomputing

The use of bulk states to accelerate the band edge state calculation of a semiconductor quantum dot

Journal of Computational Physics

Parallel Arnoldi eigensolvers with enhanced scalability via global communications rearrangement

Parallel Computing

A projection based multiscale optimization method for eigenvalue problems

Journal of Global Optimization

Scientific Application Performance On Leading Scalar and Vector Supercomputering Platforms

International Journal of High Performance Computing Applications

Conjugate-gradient eigenvalue solvers in computing electronic properties of nanostructure architectures

International Journal of Computational Science and Engineering

State-of-the-art eigensolvers for electronic structure calculations of large scale nano-systems

Journal of Computational Physics

Bulk based preconditioning for quantum dot computations

Proceedings of the 2009 ACM symposium on Applied Computing

Analysis of photonic networks for a chip multiprocessor using scientific applications

NOCS '09 Proceedings of the 2009 3rd ACM/IEEE International Symposium on Networks-on-Chip

ScaLAPACK's MRRR algorithm

ACM Transactions on Mathematical Software (TOMS)

Adaptive Projection Subspace Dimension for the Thick-Restart Lanczos Method

ACM Transactions on Mathematical Software (TOMS)

Large scale plane wave pseudopotential density functional theory calculations on GPU clusters

Proceedings of 2011 International Conference for High Performance Computing, Networking, Storage and Analysis

Comparison of nonlinear conjugate-gradient methods for computing the electronic properties of nanostructure architectures

ICCS'05 Proceedings of the 5th international conference on Computational Science - Volume Part III