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2020 – today
- 2024
[j14]Huo Chen
, Niladri Gomes, Siyuan Niu, Wibe Albert de Jong:
Adaptive variational simulation for open quantum systems. Quantum 8: 1252 (2024)- 2023
- [j13]Yizhi Shen, Katherine Klymko, James Sud, David B. Williams-Young, Wibe A. de Jong, Norm M. Tubman:
Real-Time Krylov Theory for Quantum Computing Algorithms. Quantum 7: 1066 (2023) - [j12]Illya Shapoval, Vincent Paul Su, Wibe de Jong, Miro Urbánek, Brian Swingle:
Towards Quantum Gravity in the Lab on Quantum Processors. Quantum 7: 1138 (2023) - [c18]Efekan Kökcü, Daan Camps, Lindsay Bassman Oftelie, Wibe A. de Jong, Roel Van Beeumen, Alexander F. Kemper:
Algebraic Compression of Free Fermionic Quantum Circuits: Particle Creation, Arbitrary Lattices and Controlled Evolution. QCE 2023: 381-382 - [c17]Nicolas P. D. Sawaya, Daniel Marti-Dafcik, Yang Ho, Daniel P. Tabor, David E. Bernal Neira, Alicia B. Magann, Shavindra P. Premaratne, Pradeep Dubey, Anne Y. Matsuura, Nathan Bishop, Wibe A. de Jong, Simon Benjamin, Ojas D. Parekh, Norm M. Tubman, Katherine Klymko, Daan Camps:
HamLib: A Library of Hamiltonians for Benchmarking Quantum Algorithms and Hardware. QCE 2023: 389-390 - [c16]Aaron Szasz, Ed Younis, Wibe A. de Jong:
Numerical Circuit Synthesis and Compilation for Multi-State Preparation. QCE 2023: 768-778 - [i14]Aaron Szasz, Ed Younis, Wibe de Jong:
Numerical circuit synthesis and compilation for multi-state preparation. CoRR abs/2305.01816 (2023) - [i13]Kevin Maik Jablonka, Qianxiang Ai, Alexander Al-Feghali, Shruti Badhwar, Joshua D. Bocarsly, Andres M. Bran, Stefan Bringuier, L. Catherine Brinson, Kamal Choudhary, Defne Circi, Sam Cox, Wibe A. de Jong, Matthew L. Evans, Nicolas Gastellu, Jerome Genzling, María Victoria Gil, Ankur K. Gupta, Zhi Hong, Alishba Imran, Sabine Kruschwitz, Anne Labarre, Jakub Lála, Tao Liu, Steven Ma, Sauradeep Majumdar, Garrett W. Merz, Nicolas Moitessier, Elias Moubarak, Beatriz Mouriño, Brenden Pelkie, Michael Pieler, Mayk Caldas Ramos, Bojana Rankovic, Samuel G. Rodriques, Jacob N. Sanders, Philippe Schwaller, Marcus Schwarting, Jiale Shi, Berend Smit, Ben E. Smith, Joren Van Heck, Christoph Völker, Logan T. Ward, Sean Warren, Benjamin Weiser, Sylvester Zhang, Xiaoqi Zhang, Ghezal Ahmad Zia, Aristana Scourtas, K. J. Schmidt, Ian T. Foster, Andrew D. White, Ben Blaiszik:
14 Examples of How LLMs Can Transform Materials Science and Chemistry: A Reflection on a Large Language Model Hackathon. CoRR abs/2306.06283 (2023) - [i12]Siyuan Niu, Akel Hashim, Costin Iancu, Wibe Albert de Jong, Ed Younis:
Powerful Quantum Circuit Resizing with Resource Efficient Synthesis. CoRR abs/2311.13107 (2023) - [i11]Luka Grbcic, Juliane Müller, Wibe Albert de Jong:
Efficient Inverse Design Optimization through Multi-fidelity Simulations, Machine Learning, and Search Space Reduction Strategies. CoRR abs/2312.03654 (2023) - 2022
- [j11]Nikita Acharya, Miroslav Urbánek, Wibe A. de Jong, Samah Mohamed Saeed:
Test Points for Online Monitoring of Quantum Circuits. ACM J. Emerg. Technol. Comput. Syst. 18(1): 14:1-14:19 (2022) - [j10]Daan Camps, Efekan Kökcü, Lindsay Bassman Oftelie, Wibe A. de Jong, Alexander F. Kemper, Roel Van Beeumen:
An Algebraic Quantum Circuit Compression Algorithm for Hamiltonian Simulation. SIAM J. Matrix Anal. Appl. 43(3): 1084-1108 (2022) - [c15]Tirthak Patel, Ed Younis, Costin Iancu, Wibe de Jong, Devesh Tiwari:
QUEST: systematically approximating Quantum circuits for higher output fidelity. ASPLOS 2022: 514-528 - [c14]Yulun Wu, Nicholas Choma, Andrew Deru Chen, Mikaela Cashman, Érica Teixeira Prates, Verónica G. Melesse Vergara, Manesh Shah, Austin Clyde, Thomas S. Brettin, Wibe Albert de Jong, Neeraj Kumar, Martha S. Head, Rick L. Stevens, Peter Nugent, Daniel A. Jacobson, James B. Brown:
Spatial Graph Attention and Curiosity-driven Policy for Antiviral Drug Discovery. ICLR 2022 - [c13]Juliane Müller, Wim Lavrijsen, Costin Iancu, Wibe de Jong:
Accelerating Noisy VQE Optimization with Gaussian Processes. QCE 2022: 215-225 - [i10]Illya Shapoval, Vincent Paul Su, Wibe de Jong, Miro Urbánek, Brian Swingle:
Towards Quantum Gravity in the Lab on Quantum Processors. CoRR abs/2205.14081 (2022) - 2021
- [j9]Thien Nguyen, Lindsay Bassman Oftelie, Phillip C. Lotshaw, Dmitry I. Lyakh, Alexander J. McCaskey, Vicente Leyton-Ortega, Raphael C. Pooser, Wael R. Elwasif, Travis S. Humble, Wibe A. de Jong:
QuaSiMo: A composable library to program hybrid workflows for quantum simulation. IET Quantum Commun. 2(4): 160-170 (2021) - [j8]David B. Williams-Young, Abhishek Bagusetty, Wibe A. de Jong, Douglas Doerfler, Hubertus Johannes Jacobus Van Dam, Álvaro Vázquez-Mayagoitia, Theresa L. Windus, Chao Yang:
Achieving performance portability in Gaussian basis set density functional theory on accelerator based architectures in NWChemEx. Parallel Comput. 108: 102829 (2021) - [c12]Thien Nguyen, Lindsay Bassman Oftelie, Dmitry I. Lyakh, Alexander J. McCaskey, Vicente Leyton-Ortega, Raphael C. Pooser, Wael R. Elwasif, Travis S. Humble, Wibe A. de Jong:
Composable Programming of Hybrid Workflows for Quantum Simulation. ICSA Companion 2021: 110-116 - [i9]Yu-Hang Tang, Yuanran Zhu, Wibe A. de Jong:
Detecting Label Noise via Leave-One-Out Cross-Validation. CoRR abs/2103.11352 (2021) - [i8]Yulun Wu, Nicholas Choma, Andrew Deru Chen, Mikaela Cashman, Érica T. Prates, Manesh Shah, Verónica G. Melesse Vergara, Austin Clyde, Thomas S. Brettin, Wibe A. de Jong, Neeraj Kumar, Martha S. Head, Rick L. Stevens, Peter Nugent, Daniel A. Jacobson, James B. Brown:
Spatial Graph Attention and Curiosity-driven Policy for Antiviral Drug Discovery. CoRR abs/2106.02190 (2021) - [i7]Efekan Kökcü, Daan Camps, Lindsay Bassman, James K. Freericks, Wibe A. de Jong, Roel Van Beeumen, Alexander F. Kemper:
Algebraic Compression of Quantum Circuits for Hamiltonian Evolution. CoRR abs/2108.03282 (2021) - [i6]Daan Camps, Efekan Kökcü, Lindsay Bassman, Wibe A. de Jong, Alexander F. Kemper, Roel Van Beeumen:
An Algebraic Quantum Circuit Compression Algorithm for Hamiltonian Simulation. CoRR abs/2108.03283 (2021) - [i5]Tirthak Patel, Ed Younis, Costin Iancu, Wibe de Jong, Devesh Tiwari:
Robust and Resource-Efficient Quantum Circuit Approximation. CoRR abs/2108.12714 (2021) - 2020
- [c11]Wim Lavrijsen, Ana Tudor, Juliane Müller, Costin Iancu, Wibe de Jong:
Classical Optimizers for Noisy Intermediate-Scale Quantum Devices. QCE 2020: 267-277 - [i4]Muammar El Khatib, Wibe A. de Jong:
ML4Chem: A Machine Learning Package for Chemistry and Materials Science. CoRR abs/2003.13388 (2020) - [i3]David B. Williams-Young, Wibe A. de Jong, Hubertus Johannes Jacobus Van Dam, Chao Yang:
On the Efficient Evaluation of the Exchange Correlation Potential on Graphics Processing Unit Clusters. CoRR abs/2007.03143 (2020)
2010 – 2019
- 2019
- [j7]Ryan M. Richard, Colleen Bertoni, Jeffery S. Boschen, Kristopher Keipert, Benjamin P. Pritchard, Edward F. Valeev, Robert J. Harrison, Wibe A. de Jong, Theresa L. Windus:
Developing a Computational Chemistry Framework for the Exascale Era. Comput. Sci. Eng. 21(2): 48-58 (2019) - 2018
- [i2]Yu-Hang Tang, Wibe A. de Jong:
Prediction of Atomization Energy Using Graph Kernel and Active Learning. CoRR abs/1810.07310 (2018) - 2017
- [j6]Marcus D. Hanwell, Wibe A. de Jong, Christopher J. Harris:
Open chemistry: RESTful web APIs, JSON, NWChem and the modern web application. J. Cheminformatics 9(1): 55:1-55:10 (2017) - [c10]Xiaofei Zhang, Amir Kucharski, Wibe A. de Jong, Sally R. Ellingson:
Towards a better understanding of on and off target effects of the lymphocyte-specific kinase LCK for the development of novel and safer pharmaceuticals. ICCS 2017: 1222-1231 - [c9]Mathias Jacquelin, Wibe A. de Jong, Eric J. Bylaska:
Towards Highly scalable Ab Initio Molecular Dynamics (AIMD) Simulations on the Intel Knights Landing Manycore Processor. IPDPS 2017: 234-243 - [c8]Eric J. Bylaska, Mathias Jacquelin, Wibe A. de Jong, Jeff R. Hammond, Michael Klemm:
Performance Evaluation of NWChem Ab-Initio Molecular Dynamics (AIMD) Simulations on the Intel® Xeon Phi™ Processor. ISC Workshops 2017: 404-418 - [i1]Marcus D. Hanwell, Wibe A. de Jong, Christopher J. Harris:
Open Chemistry: RESTful Web APIs, JSON, NWChem and the Modern Web Application. CoRR abs/1707.04330 (2017) - 2016
- [j5]David M. L. Brown, Herman Cho, Wibe A. de Jong:
Bridging experiment and theory: a template for unifying NMR data and electronic structure calculations. J. Cheminformatics 8(1): 8:1-8:9 (2016) - [c7]Wim Lavrijsen, Costin Iancu, Wibe de Jong, Xin Chen, Karsten Schwan:
Exploiting variability for energy optimization of parallel programs. EuroSys 2016: 9:1-9:16 - [c6]David Ozog, Amir Kamil, Yili Zheng, Paul Hargrove, Jeff R. Hammond, Allen D. Malony, Wibe de Jong, Kathy Yelick:
A Hartree-Fock Application Using UPC++ and the New DArray Library. IPDPS 2016: 453-462 - 2015
- [c5]Hongzhang Shan, Samuel Williams, Wibe de Jong, Leonid Oliker:
Thread-level parallelization and optimization of NWChem for the Intel MIC architecture. PMAM@PPoPP 2015: 58-67 - [c4]Milind Chabbi, Wim Lavrijsen, Wibe de Jong, Koushik Sen, John M. Mellor-Crummey, Costin Iancu:
Barrier elision for production parallel programs. PPoPP 2015: 109-119 - 2014
- [j4]Upakarasamy Lourderaj, Rui Sun, Swapnil C. Kohale, George L. Barnes, Wibe A. de Jong, Theresa L. Windus, William L. Hase:
The VENUS/NWChem software package. Tight coupling between chemical dynamics simulations and electronic structure theory. Comput. Phys. Commun. 185(3): 1074-1080 (2014) - 2013
- [j3]Wibe A. de Jong, Andrew M. Walker, Marcus D. Hanwell:
From data to analysis: linking NWChem and Avogadro with the syntax and semantics of Chemical Markup Language. J. Cheminformatics 5: 25 (2013) - [c3]Hongzhang Shan, Brian Austin, Wibe de Jong, Leonid Oliker, Nicholas J. Wright, Edoardo Aprà:
Performance Tuning of Fock Matrix and Two-Electron Integral Calculations for NWChem on Leading HPC Platforms. PMBS@SC 2013: 261-280 - 2011
- [r1]Niranjan Govind, Eric J. Bylaska, Wibe A. de Jong, Karol Kowalski, Tjerk P. Straatsma, Marat Valiev, Hubertus Johannes Jacobus Van Dam:
NWChem. Encyclopedia of Parallel Computing 2011: 1345-1353 - 2010
- [j2]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:
NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations. Comput. Phys. Commun. 181(9): 1477-1489 (2010) - [c2]Abhinav Vishnu, Huub J. J. Van Dam, Wibe de Jong, Pavan Balaji, Shuaiwen Song:
Fault-tolerant communication runtime support for data-centric programming models. HiPC 2010: 1-9
2000 – 2009
- 2009
- [c1]Edoardo Aprà, Alistair P. Rendell, Robert J. Harrison, Vinod Tipparaju, Wibe A. de Jong, Sotiris S. Xantheas:
Liquid water: obtaining the right answer for the right reasons. SC 2009 - 2000
- [j1]Markus Pernpointner, Lucas Visscher, Wibe A. de Jong, Ria Broer:
Parallelization of four-component calculations. I. Integral generation, SCF, and four-index transformation in the Dirac-Fock package MOLFDIR. J. Comput. Chem. 21(13): 1176-1186 (2000)
Coauthor Index
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last updated on 2024-04-02 22:36 CEST by the dblp team
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