36 citations · 164 across the 19 of their papers we have counts for
22 papers
Recursive expansion of the matrix step function using polynomials of degree eight
Emanuel H. Rubensson, Elias Jarlebring, Gustaf Lorentzon
We consider the problem of efficiently computing the matrix step function of a large dense symmetric matrix. To this end, we introduce a recursive polynomial expansion method in wh…
Susceptibility Formulation of Density Matrix Perturbation Theory
Anders M. N. Niklasson, Adela Habib, Joshua Finkelstein +1
Density matrix perturbation theory based on recursive Fermi-operator expansions provides a computationally efficient framework for time-independent response calculations in quantum…
Higher order derivatives of matrix functions
Emanuel H. Rubensson
We present theory for general partial derivatives of matrix functions on the form where is a matrix path of several variables (). Building on re…
Quantum perturbation theory using Tensor cores and a deep neural network
Joshua Finkelstein, Emanuel H. Rubensson, Susan M. Mniszewski +2
Time-independent quantum response calculations are performed using Tensor cores. This is achieved by mapping density matrix perturbation theory onto the computational structure of…
Quantum-based Molecular Dynamics Simulations Using Tensor Cores
Joshua Finkelstein, Justin S. Smith, Susan M. Mniszewski +4
Tensor cores, along with tensor processing units, represent a new form of hardware acceleration specifically designed for deep neural network calculations in artificial intelligenc…
Mixed Precision Fermi-Operator Expansion on Tensor Cores From a Machine Learning Perspective
Joshua Finkelstein, Justin Smith, Susan M. Mniszewski +4
We present a second-order recursive Fermi-operator expansion scheme using mixed precision floating point operations to perform electronic structure calculations using tensor core u…