Chao Yang

Orcid: 0000-0001-7172-7539

Affiliations:
  • Lawrence Berkeley National Laboratory, Computational Research Division, CA, USA


According to our database1, Chao Yang authored at least 89 papers between 2002 and 2024.

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Bibliography

2024
Explicit Quantum Circuits for Block Encodings of Certain Sparse Matrices.
SIAM J. Matrix Anal. Appl., March, 2024

Accelerating Eigenvalue Computation for Nuclear Structure Calculations via Perturbative Corrections.
CoRR, 2024

2023
Probing reaction channels via reinforcement learning.
Mach. Learn. Sci. Technol., December, 2023

Hybrid eigensolvers for nuclear configuration interaction calculations.
Comput. Phys. Commun., November, 2023

Analyzing and predicting non-equilibrium many-body dynamics via dynamic mode decomposition.
J. Comput. Phys., March, 2023

A machine learning pipeline for membrane segmentation of cryo-electron tomograms.
J. Comput. Sci., January, 2023

Learning nonlinear integral operators via Recurrent Neural Networks and its application in solving Integro-Differential Equations.
CoRR, 2023

Fault-Tolerant LOBPCG for Nuclear CI Calculations.
Proceedings of the International Conference on High Performance Computing in Asia-Pacific Region, 2023

2022
Graph Representation Learning for Similarity Stocks Analysis.
J. Signal Process. Syst., 2022

Using dynamic mode decomposition to predict the dynamics of a two-time non-equilibrium Green's function.
J. Comput. Sci., 2022

Accelerating an iterative eigensolver for nuclear structure configuration interaction calculations on GPUs using OpenACC.
J. Comput. Sci., 2022

Low rank approximation in simulations of quantum algorithms.
J. Comput. Sci., 2022

Exploring Potential Energy Surfaces Using Reinforcement Machine Learning.
J. Chem. Inf. Model., 2022

Enhancing scalability of a matrix-free eigensolver for studying many-body localization.
Int. J. High Perform. Comput. Appl., 2022

KSSOLV 2.0: An efficient MATLAB toolbox for solving the Kohn-Sham equations with plane-wave basis set.
Comput. Phys. Commun., 2022

Explicit Quantum Circuits for Block Encodings of Certain Sparse Matrice.
CoRR, 2022

Performance Portability of Sparse Block Diagonal Matrix Multiple Vector Multiplications on GPUs.
Proceedings of the IEEE/ACM International Workshop on Performance, 2022

2021
Achieving performance portability in Gaussian basis set density functional theory on accelerator based architectures in NWChemEx.
Parallel Comput., 2021

A greedy algorithm for computing eigenvalues of a symmetric matrix with localized eigenvectors.
Numer. Linear Algebra Appl., 2021

Quantum Fourier transform revisited.
Numer. Linear Algebra Appl., 2021

Randomized Algorithms for Scientific Computing (RASC).
CoRR, 2021

A Flexible Power Method for Solving Infinite Dimensional Tensor Eigenvalue Problems.
CoRR, 2021

Accelerating Quantum Many-Body Configuration Interaction with Directives.
Proceedings of the Accelerator Programming Using Directives - 8th International Workshop, 2021

Similarity Analysis of Knowledge Graph-based Company Embedding for Stocks Portfolio.
Proceedings of the 6th IEEE International Conference on Smart Cloud, 2021

Performance Modeling and Tuning for DFT Calculations on Heterogeneous Architectures.
Proceedings of the IEEE International Parallel and Distributed Processing Symposium Workshops, 2021

2020
A Shift Selection Strategy for Parallel Shift-invert Spectrum Slicing in Symmetric Self-consistent Eigenvalue Computation.
ACM Trans. Math. Softw., 2020

Mesh independence of the generalized Davidson algorithm.
J. Comput. Phys., 2020

ELSI - An open infrastructure for electronic structure solvers.
Comput. Phys. Commun., 2020

Scalable implementation of polynomial filtering for density functional theory calculation in PARSEC.
Comput. Phys. Commun., 2020

Solving the k-sparse Eigenvalue Problem with Reinforcement Learning.
CoRR, 2020

On the Efficient Evaluation of the Exchange Correlation Potential on Graphics Processing Unit Clusters.
CoRR, 2020

Evaluation of the Communication Motif for a Distributed Eigensolver using the SST Network Simulation Tool.
Proceedings of the 2020 IEEE/ACM Performance Modeling, 2020

Parallel Shift-Invert Spectrum Slicing on Distributed Architectures with GPU Accelerators.
Proceedings of the ICPP 2020: 49th International Conference on Parallel Processing, 2020

A Scalable Matrix-Free Iterative Eigensolver for Studying Many-Body Localization.
Proceedings of the International Conference on High Performance Computing in Asia-Pacific Region, 2020

2019
Large-scale GW calculations on pre-exascale HPC systems.
Comput. Phys. Commun., 2019

2018
A Robust and Efficient Implementation of LOBPCG.
SIAM J. Sci. Comput., 2018

A Structure Preserving Lanczos Algorithm for Computing the Optical Absorption Spectrum.
SIAM J. Matrix Anal. Appl., 2018

PSelInv - A distributed memory parallel algorithm for selected inversion: The non-symmetric case.
Parallel Comput., 2018

Computing resonant modes of accelerator cavities by solving nonlinear eigenvalue problems via rational approximation.
J. Comput. Phys., 2018

ELSI: A unified software interface for Kohn-Sham electronic structure solvers.
Comput. Phys. Commun., 2018

Accelerating nuclear configuration interaction calculations through a preconditioned block iterative eigensolver.
Comput. Phys. Commun., 2018

Deep Learning: Extrapolation Tool for Ab Initio Nuclear Theory.
CoRR, 2018

Accelerating Optical Absorption Spectra and Exciton Energy Computation via Interpolative Separable Density Fitting.
Proceedings of the Computational Science - ICCS 2018, 2018

A Left-Looking Selected Inversion Algorithm and Task Parallelism on Shared Memory Systems.
Proceedings of the International Conference on High Performance Computing in Asia-Pacific Region, 2018

2017
A High Performance Block Eigensolver for Nuclear Configuration Interaction Calculations.
IEEE Trans. Parallel Distributed Syst., 2017

PSelInv - A Distributed Memory Parallel Algorithm for Selected Inversion: The Symmetric Case.
ACM Trans. Math. Softw., 2017

Adaptive local basis set for Kohn-Sham density functional theory in a discontinuous Galerkin framework II: Force, vibration, and molecular dynamics calculations.
J. Comput. Phys., 2017

Efficient block preconditioned eigensolvers for linear response time-dependent density functional theory.
Comput. Phys. Commun., 2017

A Model Order Reduction Algorithm for Estimating the Absorption Spectrum.
CoRR, 2017

2016
A Thick-Restart Lanczos Algorithm with Polynomial Filtering for Hermitian Eigenvalue Problems.
SIAM J. Sci. Comput., 2016

Approximating Spectral Densities of Large Matrices.
SIAM Rev., 2016

Trace-Penalty Minimization for Large-Scale Eigenspace Computation.
J. Sci. Comput., 2016

Reduced-cost sparsity-exploiting algorithm for solving coupled-cluster equations.
J. Comput. Chem., 2016

molgw 1: Many-body perturbation theory software for atoms, molecules, and clusters.
Comput. Phys. Commun., 2016

BSEPACK User's Guide.
CoRR, 2016

Enhancing Scalability and Load Balancing of Parallel Selected Inversion via Tree-Based Asynchronous Communication.
Proceedings of the 2016 IEEE International Parallel and Distributed Processing Symposium, 2016

Convolutional neural networks at the interface of physical and digital data.
Proceedings of the 2016 IEEE Applied Imagery Pattern Recognition Workshop, 2016

2015
An Out-of-Core Task-based Middleware for Data-Intensive Scientific Computing.
Proceedings of the Handbook on Data Centers, 2015

A Proximal Gradient Method for Ensemble Density Functional Theory.
SIAM J. Sci. Comput., 2015

A projected preconditioned conjugate gradient algorithm for computing many extreme eigenpairs of a Hermitian matrix.
J. Comput. Phys., 2015

Numerical integration for ab initio many-electron self energy calculations within the GW approximation.
J. Comput. Phys., 2015

New algorithms for iterative matrix-free eigensolvers in quantum chemistry.
J. Comput. Chem., 2015

Enhancing the scalability and load balancing of the parallel selected inversion algorithm via tree-based asynchronous communication.
CoRR, 2015

2014
Exploring the future of out-of-core computing with compute-local non-volatile memory.
Sci. Program., 2014

Parallel eigenvalue calculation based on multiple shift-invert Lanczos and contour integral based spectral projection method.
Parallel Comput., 2014

Improving the scalability of a symmetric iterative eigensolver for multi-core platforms.
Concurr. Comput. Pract. Exp., 2014

Optimizing Sparse Matrix-Multiple Vectors Multiplication for Nuclear Configuration Interaction Calculations.
Proceedings of the 2014 IEEE 28th International Parallel and Distributed Processing Symposium, 2014

2013
Elliptic Preconditioner for Accelerating the Self-Consistent Field Iteration in Kohn-Sham Density Functional Theory.
SIAM J. Sci. Comput., 2013

2012
An Out-of-Core Dataflow Middleware to Reduce the Cost of Large Scale Iterative Solvers.
Proceedings of the 41st International Conference on Parallel Processing Workshops, 2012

Topology-Aware Mappings for Large-Scale Eigenvalue Problems.
Proceedings of the Euro-Par 2012 Parallel Processing - 18th International Conference, 2012

An Out-of-Core Eigensolver on SSD-equipped Clusters.
Proceedings of the 2012 IEEE International Conference on Cluster Computing, 2012

2011
SelInv - An Algorithm for Selected Inversion of a Sparse Symmetric Matrix.
ACM Trans. Math. Softw., 2011

A Fast Parallel Algorithm for Selected Inversion of Structured Sparse Matrices with Application to 2D Electronic Structure Calculations.
SIAM J. Sci. Comput., 2011

Advancing Nuclear Physics Through TOPS Solvers and Tools
CoRR, 2011

Large-scale parallel null space calculation for nuclear configuration interaction.
Proceedings of the 2011 International Conference on High Performance Computing & Simulation, 2011

On Reducing I/O Overheads in Large-Scale Invariant Subspace Projections.
Proceedings of the Euro-Par 2011: Parallel Processing Workshops - CCPI, CGWS, HeteroPar, HiBB, HPCVirt, HPPC, HPSS, MDGS, ProPer, Resilience, UCHPC, VHPC, Bordeaux, France, August 29, 2011

2010
Scaling of ab-initio nuclear physics calculations on multicore computer architectures.
Proceedings of the International Conference on Computational Science, 2010

High-Performance Three-Dimensional Image Reconstruction for Molecular Structure Determination.
Int. J. High Perform. Comput. Appl., 2010

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

2008
An Implementation and Evaluation of the AMLS Method for Sparse Eigenvalue Problems.
ACM Trans. Math. Softw., 2008

On the Convergence of the Self-Consistent Field Iteration for a Class of Nonlinear Eigenvalue Problems.
SIAM J. Matrix Anal. Appl., 2008

Accelerating configuration interaction calculations for nuclear structure.
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

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

2005
An Algebraic Substructuring Method for Large-Scale Eigenvalue Calculation.
SIAM J. Sci. Comput., 2005

2004
Matrix-free constructions of circulant and block circulant preconditioners.
Numer. Linear Algebra Appl., 2004

Algebraic Sub-structuring for Electromagnetic Applications.
Proceedings of the Applied Parallel Computing, 2004

2003
Time-Memory Trade-Offs Using Sparse Matrix Methods for Large-Scale Eigenvalue Problems.
Proceedings of the Computational Science and Its Applications, 2003

2002
Large-Scale Normal Coordinate Analysis on Distributed Memory Parallel Systems.
Int. J. High Perform. Comput. Appl., 2002


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