Acceleration of Streamed Tensor Contraction Expressions on GPGPU-Based Clusters. - Wenjing Ma; Sriram Krishnamoorthy; Oreste Villa; Karol Kowalski (CLUSTER, 2010)

NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations. - Marat Valiev; Eric J. Bylaska; Niranjan Govind; Karol Kowalski; Tjerk P. Straatsma; Hubertus Johannes Jacobus Van Dam; D. Wang; Jarek Nieplocha; Edoardo Aprà; Theresa L. Windus; Wibe A. de Jong (Comput. Phys. Commun., 2010)

Application-Specific Fault Tolerance via Data Access Characterization. - Nawab Ali; Sriram Krishnamoorthy; Niranjan Govind; Karol Kowalski; Ponnuswamy Sadayappan (Euro-Par (2), 2011)

Object-Oriented Mutation Applied in Common Intermediate Language Programs Originated from C#. - Anna Derezinska; Karol Kowalski (ICST Workshops, 2011)

Scalable implementations of accurate excited-state coupled cluster theories: application of high-level methods to porphyrin-based systems. - Karol Kowalski; Sriram Krishnamoorthy; Ryan M. Olson; Vinod Tipparaju; Edoardo Aprà (SC, 2011)

NWChem. - Niranjan Govind; Eric J. Bylaska; Wibe A. de Jong; Karol Kowalski; Tjerk P. Straatsma; Marat Valiev; Hubertus Johannes Jacobus Van Dam (Encyclopedia of Parallel Computing, 2011)

International Conference on Computational Science, ICCS 2012. - Pai-Wei Lai; Huaijian Zhang; Samyam Rajbhandari; Edward F. Valeev; Karol Kowalski; P. Sadayappan (ICCS, 2012)

Optimizing tensor contraction expressions for hybrid CPU-GPU execution. - Wenjing Ma; Sriram Krishnamoorthy; Oreste Villa; Karol Kowalski; Gagan Agrawal (Clust. Comput., 2013)

Utilizing dataflow-based execution for coupled cluster methods. - Heike McCraw; Anthony Danalis; Thomas Hérault; George Bosilca; Jack J. Dongarra; Karol Kowalski; Theresa L. Windus (CLUSTER, 2014)

Efficient Implementation of Many-Body Quantum Chemical Methods on the Intel® Xeon Phi Coprocessor. - Edoardo Aprà; Michael Klemm; Karol Kowalski (SC, 2014)

Optimizing the Four-Index Integral Transform Using Data Movement Lower Bounds Analysis. - Samyam Rajbhandari; Fabrice Rastello; Karol Kowalski; Sriram Krishnamoorthy; P. Sadayappan (PPoPP, 2017)

Combined quantum-mechanical molecular mechanics calculations with NWChem and AMBER: Excited state properties of green fluorescent protein chromophore analogue in aqueous solution. - Teerapong Pirojsirikul; Andreas W. Götz; John H. Weare; Ross C. Walker; Karol Kowalski; Marat Valiev (J. Comput. Chem., 2017)

Mapping Arbitrarily Sparse Two-Body Interactions on One-Dimensional Quantum Circuits. - Arif M. Khan; Mahantesh Halappanavar; Tobias Hagge; Karol Kowalski; Alex Pothen; Sriram Krishnamoorthy (HiPC, 2019)

Neural Network Contour Error Prediction of a Bi-axial Linear Motor Positioning System. - Krystian Erwinski; Karol Kowalski; Marcin Paprocki (ICINCO (1), 2019)

Toward generalized tensor algebra for ab initio quantum chemistry methods. - Erdal Mutlu; Karol Kowalski; Sriram Krishnamoorthy (ARRAY@PLDI, 2019)

Q# and NWChem: Tools for Scalable Quantum Chemistry on Quantum Computers. - Guang Hao Low; Nicholas P. Bauman; Christopher E. Granade; Bo Peng; Nathan Wiebe; Eric J. Bylaska; Dave Wecker; Sriram Krishnamoorthy; Martin Roetteler; Karol Kowalski; Matthias Troyer; Nathan A. Baker (CoRR, 2019)

Scalable heterogeneous execution of a coupled-cluster model with perturbative triples. - Jinsung Kim; Ajay Panyala; Bo Peng; Karol Kowalski; P. Sadayappan; Sriram Krishnamoorthy (SC, 2020)

spec-org/gfcc: GFCCLib 1.1. - Bo Peng; Ajay Panyala; Sriram Krishnamoorthy; Karol Kowalski (Zenodo, 2020)

Scalable Heterogeneous Execution of a Coupled-Cluster Model with Perturbative Triples. - Jinsung Kim; Ajay Panyala; Bo Peng; Karol Kowalski; Ponnuswamy Sadayappan; Sriram Krishnamoorthy (Zenodo, 2020)

GFCCLib: Scalable and efficient coupled-cluster Green's function library for accurately tackling many-body electronic structure problems. - Bo Peng; Ajay Panyala; Karol Kowalski; Sriram Krishnamoorthy (Comput. Phys. Commun., 2021)

Massively parallel quantum chemical density matrix renormalization group method. - Jiri Brabec; Jan Brandejs; Karol Kowalski; Sotiris S. Xantheas; Örs Legeza; Libor Veis (J. Comput. Chem., 2021)

Variational quantum solver employing the PDS energy functional. - Bo Peng; Karol Kowalski (Quantum, 2021)

EQC: ensembled quantum computing for variational quantum algorithms. - Samuel Alexander Stein; Nathan Wiebe; Yufei Ding 001; Bo Peng; Karol Kowalski; Nathan A. Baker; James A. Ang; Ang Li 006 (ISCA, 2022)

TAMM: Tensor Algebra for Many-body Methods. - Erdal Mutlu; Ajay Panyala; Karol Kowalski; Nicholas P. Bauman; Bo Peng; Jiri Brabec; Sriram Krishnamoorthy (CoRR, 2022)

Periodic Plane-Wave Electronic Structure Calculations on Quantum Computers. - Duo Song; Nicholas P. Bauman; Guen Prawiroatmodjo; Bo Peng; Cassandra Granade; Kevin M. Rosso; Guang Hao Low; Martin Roetteler; Karol Kowalski; Eric J. Bylaska (CoRR, 2022)

Hybrid quantum-classical approach for coupled-cluster Green's function theory. - Trevor Keen; Bo Peng; Karol Kowalski; Pavel Lougovski; Steven Johnston (Quantum, 2022)

Data files for "Hybrid quantum-classical approach for coupled-cluster Green's function theory". - Trevor Keen; Bo Peng; Karol Kowalski; Pavel Lougovski; Steven Johnston (Zenodo, 2022)

Supporting Information for the Journal Article "High-throughput ab initio reaction mechanism exploration in the cloud with automated multi-reference treatment". - Jan P. Unsleber; Hongbin Liu; Leopold Talirz; Thomas Weymuth; Maximilian Mörchen; Adam Grofe; Dave Wecker; Christopher J. Stein; Ajay Panyala; Bo Peng; Karol Kowalski; Matthias Troyer; et al. (Zenodo, 2022)

Enabling Scalable VQE Simulation on Leading HPC Systems. - Meng Wang 033; Fei Hua; Chenxu Liu; Nicholas P. Bauman; Karol Kowalski; Daniel Claudino; Travis S. Humble; Prashant J. Nair; Ang Li 006 (SC Workshops, 2023)

Quantum Simulation of Boson-Related Hamiltonians: Techniques, Effective Hamiltonian Construction, and Error Analysis. - Bo Peng; Yuan Su; Daniel Claudino; Karol Kowalski; Guang Hao Low; Martin Roetteler (CoRR, 2023)

Supporting Information for the Journal Article "High-throughput ab initio reaction mechanism exploration in the cloud with automated multi-reference treatment". - Jan P. Unsleber; Hongbin Liu; Leopold Talirz; Thomas Weymuth; Maximilian Mörchen; Adam Grofe; Dave Wecker; Christopher J. Stein; Ajay Panyala; Bo Peng; Karol Kowalski; Matthias Troyer; et al. (Zenodo, 2023)

Picasso: Memory-Efficient Graph Coloring Using Palettes With Applications in Quantum Computing. - S. M. Ferdous; Reece Neff; Bo Peng; Salman Shuvo; Marco Minutoli; Sayak Mukherjee; Karol Kowalski; Michela Becchi; Mahantesh Halappanavar (IPDPS, 2024)

texttt{Picasso}: Memory-Efficient Graph Coloring Using Palettes With Applications in Quantum Computing. - S. M. Ferdous; Reece Neff; Bo Peng; Salman Shuvo; Marco Minutoli; Sayak Mukherjee; Karol Kowalski; Michela Becchi; Mahantesh Halappanavar (CoRR, 2024)