activity
20162022
most citedNWChem: Past, Present, and Future

699 citations · 913 across the 16 of their papers we have counts for

collaborators

17 papers

quant-ph2022

Optimized Quantum Phase Estimation for Simulating Electronic States in Various Energy Regimes

Christopher Kang, Nicholas P. Bauman, Sriram Krishnamoorthy +1

While quantum algorithms for simulation exhibit better asymptotic scaling than their classical counterparts, they currently cannot be implemented on real-world devices. Instead, ch…

quant-ph2022

Efficient Hierarchical State Vector Simulation of Quantum Circuits via Acyclic Graph Partitioning

Bo Fang, M. Yusuf Özkaya, Ang Li +2

Early but promising results in quantum computing have been enabled by the concurrent development of quantum algorithms, devices, and materials. Classical simulation of quantum prog…

cs.DC2022★ 23 cited

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…

quant-ph2021★ 1 cited

The Impact of Logical Errors on Quantum Algorithms

Omer Subasi, Sriram Krishnamoorthy

In this work, we explore the impact of logical stochastic Pauli and coherent Z-rotation errors on quantum algorithms. We evaluate six canonical quantum algorithms' intrinsic resili…

cs.DC2021

Characterizing Impacts of Storage Faults on HPC Applications: A Methodology and Insights

Bo Fang, Daoce Wang, Sian Jin +6

In recent years, the increasing complexity in scientific simulations and emerging demands for training heavy artificial intelligence models require massive and fast data accesses,…

cs.MS2021★ 2 cited

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…