23 citations · 26 across the 6 of their papers we have counts for
7 papers
Parametrized Exact Hardware-Software Partitioning
Cameron Ibrahim, S M Ferdous, Erdal Mutlu +2
When optimizing computing architecture for specific computationally intensive tasks, such as evaluating or training a neural network, it is important to identify what computational…
Prediction of Runtime Parameters of Parallel Chemistry Applications via Active and Generative Learning
Tanzila Tabassum, Omer Subasi, Ajay Panyala +5
In this work, we develop two main Machine Learning based approaches to predict the runtime parameters of highly scalable parallel chemistry computations.These approaches employ act…
Guiding Application Users via Estimation of Computational Resources for Massively Parallel Chemistry Computations
Tanzila Tabassum, Omer Subasi, Ajay Panyala +6
In this work, we develop machine learning (ML) based strategies to predict resources (costs) required for massively parallel chemistry computations, such as coupled-cluster methods…
Real-time Equation-of-Motion Coupled-Cluster Cumulant Green's Function Method: Heterogeneous Parallel Implementation Based on the Tensor Algebra for Many-body Methods Infrastructure
Himadri Pathak, Ajay Panyala, Bo Peng +5
We report the implementation of the real-time equation-of-motion coupled-cluster (RT-EOM-CC) cumulant Green's function method [J. Chem. Phys. 152, 174113 (2020)] within the Tensor…
Real-time equation-of-motion CC cumulant and CC Green's function simulations of photoemission spectra of water and water dimer
Fernando D. Vila, John J. Rehr, Himadri Pathak +5
Newly developed coupled-cluster (CC) methods enable simulations of ionization potentials and spectral functions of molecular systems in a wide range of energy scales ranging from c…
TAMM: Tensor Algebra for Many-body Methods
Erdal Mutlu, Ajay Panyala, Nitin Gawande +7
Tensor contraction operations in computational chemistry consume significant fractions of computing time on large-scale computing platforms. The widespread use of tensor contractio…
COMET: A Domain-Specific Compilation of High-Performance Computational Chemistry
Erdal Mutlu, Ruiqin Tian, Bin Ren +4
The computational power increases over the past decades havegreatly enhanced the ability to simulate chemical reactions andunderstand ever more complex transformations. Tensor cont…