Emanuel H. Rubensson - Publications, H-index & Citations

Quantum Perturbation Theory Using Tensor Cores and a Deep Neural Network

IF3.1

2024-12-16

OAAI

Niklasson, Anders M. N.; Habib, Adela; Finkelstein, Joshua D.; Rubensson, Emanuel H.

Quantum-Based Molecular Dynamics Simulations Using Tensor Cores

IF5.5

2022-06-07

OAAI

Finkelstein, Joshua; Rubensson, Emanuel H.; Mniszewski, Susan M.; Negre, Christian F. A.; Niklasson, Anders M. N.

Sparse approximate matrix-matrix multiplication for density matrix purification with error control

IF5.5

2021-10-01

OAAI

Finkelstein, Joshua; Smith, Justin S.; Mniszewski, Susan M.; Barros, Kipton; Negre, Christian F. A.; Rubensson, Emanuel H.; Niklasson, Anders M. N.

JOURNAL OF COMPUTATIONAL PHYSICS

IF3.8

2021-08-01

OAAI

Artemov, Anton G.; Rubensson, Emanuel H.

Mixed Precision Fermi-Operator Expansion on Tensor Cores from a Machine Learning Perspective

Linear Scaling Pseudo Fermi-Operator Expansion for Fractional Occupation

IF5.5

2021-04-02

OAAI

Finkelstein, Joshua; Smith, Justin S.; Mniszewski, Susan M.; Barros, Kipton; Negre, Christian F. A.; Rubensson, Emanuel H.; Niklasson, Anders M. N.

On-the-Fly Computation of Frontal Orbitals in Density Matrix Expansions

IF5.5

2018-11-19

OAAI

Mniszewski, Susan M.; Perriot, Romain; Rubensson, Emanuel H.; Negre, Christian F. A.; Cawkwell, Marc J.; Niklasson, Anders M. N.

Parameterless Stopping Criteria for Recursive Density Matrix Expansions

IF5.5

2017-12-20

OAAI

Kruchinina, Anastasia; Rudberg, Elias; Rubensson, Emanuel H.

INTERIOR EIGENVALUES FROM DENSITY MATRIX EXPANSIONS IN QUANTUM MECHANICAL MOLECULAR DYNAMICS

IF5.5

2016-12-01

OAAI

Kruchinina, Anastasia; Rudberg, Elias; Rubensson, Emanuel H.

SIAM JOURNAL ON SCIENTIFIC COMPUTING

IF2.6

2014-01-01

OAAI

Rubensson, Emanuel H.; Niklasson, Anders M. N.

CONTROLLING ERRORS IN RECURSIVE FERMI-DIRAC OPERATOR EXPANSIONS WITH APPLICATIONS IN ELECTRONIC STRUCTURE THEORY

SIAM JOURNAL ON SCIENTIFIC COMPUTING

IF2.6

2012-01-01

OAAI

Rubensson, Emanuel H.

Bringing About Matrix Sparsity in Linear-Scaling Electronic Structure Calculations

Kohn-Sham Density Functional Theory Electronic Structure Calculations with Linearly Scaling Computational Time and Memory Usage

IF4.8

2011-02-01

PREAI

Rubensson, Emanuel H.; Rudberg, Elias

Automatic Selection of Integral Thresholds by Extrapolation in Coulomb and Exchange Matrix Constructions

IF5.5

2010-12-30

PREAI

Rudberg, Elias; Rubensson, Emanuel H.; Salek, Pawel

Truncation of Small Matrix Elements Based on the Euclidean Norm for Blocked Data Structures

IF5.5

2008-12-09

PREAI

Rudberg, Elias; Rubensson, Emanuel H.; Salek, Pawel

Hartree-Fock calculations with linearly scaling memory usage

IF4.8

2008-09-24

PREAI

Rubensson, Emanuel H.; Rudberg, Elias; Salek, Pawel

Computation of interior eigenvalues in electronic structure calculations facilitated by density matrix purification

IF3.1

2008-05-13

PREAI

Rudberg, Elias; Rubensson, Emanuel H.; Salek, Pawel

Recursive inverse factorization

IF3.1

2008-05-05

PREAI

Rubensson, Emanuel H.; Zahedi, Sara

Density matrix purification with rigorous error control

IF3.1

2008-03-12

PREAI

Rubensson, Emanuel H.; Bock, Nicolas; Holmstroem, Erik; Niklasson, Anders M. N.

A hierarchic sparse matrix data structure for large-scale Hartree-Fock/Kohn-Sham calculations

IF3.1

2008-02-20

PREAI

Rubensson, Emanuel H.; Rudberg, Elias; Salek, Pawel

Systematic sparse matrix error control for linear scaling electronic structure calculations

IF4.8

2007-05-14

PREAI

Rubensson, Emanuel H.; Rudberg, Elias; Salek, Pawel