activity
20092021
most citedNWChem: Past, Present, and Future

699 citations · 1.9k across the 60 of their papers we have counts for

collaborators

60 papers

cs.DC2021★ 4 cited

Accelerating quantum many-body configuration interaction with directives

Brandon Cook, Patrick J. Fasano, Pieter Maris +2

Many-Fermion Dynamics-nuclear, or MFDn, is a configuration interaction (CI) code for nuclear structure calculations. It is a platform-independent Fortran 90 code using a hybrid MPI…

cs.DC2021

Accelerating an Iterative Eigensolver for Nuclear Structure Configuration Interaction Calculations on GPUs using OpenACC

Pieter Maris, Chao Yang, Dossay Oryspayev +1

To accelerate the solution of large eigenvalue problems arising from many-body calculations in nuclear physics on distributed-memory parallel systems equipped with general-purpose…

cond-mat.stat-mech2021★ 1 cited

Analyzing and predicting non-equilibrium many-body dynamics via dynamic mode decomposition

Jia Yin, Yang-hao Chan, Felipe da Jornada +3

Simulating the dynamics of a nonequilibrium quantum many-body system by computing the two-time Green's function associated with such a system is computationally challenging. Howeve…

cond-mat.dis-nn2020

Enhancing Scalability of a Matrix-Free Eigensolver for Studying Many-Body Localization

Roel Van Beeumen, Khaled Z. Ibrahim, Gregory D. Kahanamoku-Meyer +2

In [Van Beeumen, et. al, HPC Asia 2020, https://www.doi.org/10.1145/3368474.3368497] a scalable and matrix-free eigensolver was proposed for studying the many-body localization (MB…

physics.comp-ph2020★ 1 cited

Solving the k-sparse Eigenvalue Problem with Reinforcement Learning

Li Zhou, Lihao Yan, Mark A. Caprio +2

We examine the possibility of using a reinforcement learning (RL) algorithm to solve large-scale eigenvalue problems in which the desired the eigenvector can be approximated by a s…

physics.comp-ph2020★ 1 cited

On the Efficient Evaluation of the Exchange Correlation Potential on Graphics Processing Unit Clusters

David B. Williams-Young, Wibe A. de Jong, Hubertus J. J. van Dam +1

The predominance of Kohn-Sham density functional theory (KS-DFT) for the theoretical treatment of large experimentally relevant systems in molecular chemistry and materials science…