Wibe A. de Jong

According to our database, Wibe A. de Jong authored at least 46 papers between 2000 and 2024.

Collaborative distances:

• Dijkstra number of four.
• Erdős number of four.

2024

Adaptive variational simulation for open quantum systems.

Huo Chen, Niladri Gomes, Siyuan Niu, Wibe Albert de Jong

Quantum, February, 2024

Quantum-centric supercomputing for materials science: A perspective on challenges and future directions.

Yuri Alexeev, Maximilian Amsler, Marco Antonio Barroca, Sanzio Bassini, Torey Battelle, Daan Camps, David Casanova, Young Jay Choi, Frederic T. Chong, Charles Chung, Christopher Codella, Antonio D. Córcoles, James Cruise, Alberto Di Meglio, Ivan Duran, Thomas Eckl, Sophia E. Economou, Stephan J. Eidenbenz, Bruce Elmegreen, Clyde Fare, Ismael Faro, Cristina Sanz Fernández, Rodrigo Neumann Barros Ferreira, Keisuke Fuji, Bryce Fuller, Laura Gagliardi, Giulia Galli, Jennifer R. Glick, Isacco Gobbi, Pranav Gokhale, Salvador de la Puente Gonzalez, Johannes Greiner, Bill Gropp, Michele Grossi, Emanuel Gull, Burns Healy, Matthew R. Hermes, Benchen Huang, Travis S. Humble, Nobuyasu Ito, Artur F. Izmaylov, Ali Javadi-Abhari, Douglas M. Jennewein, Shantenu Jha, Liang Jiang, Barbara Jones, Wibe Albert de Jong, Petar Jurcevic, William M. Kirby, Stefan Kister, Masahiro Kitagawa, Joel Klassen, Katherine Klymko, Kwangwon Koh, Masaaki Kondo, Doga Murat Kürkçüoglu, Krzysztof Kurowski, Teodoro Laino, Ryan Landfield, Matthew L. Leininger, Vicente Leyton-Ortega, Ang Li, Meifeng Lin, Junyu Liu, Nicolás Lorente, André Luckow, Simon Martiel, Francisco Martín-Fernández, Margaret Martonosi, Claire Marvinney, Arcesio Castañeda Medina, Dirk Merten, Antonio Mezzacapo, Kristel Michielsen, Abhishek Mitra, Tushar Mittal, Kyungsun Moon, Joel Moore, Sarah Mostame, Mario Motta, Young-Hye Na, Yunseong Nam, Prineha Narang, Yu-ya Ohnishi, Daniele Ottaviani, Matthew Otten, Scott Pakin, Vincent R. Pascuzzi, Edwin Pednault, Tomasz Piontek, Jed Pitera, Patrick Rall, Gokul Subramanian Ravi, Niall Robertson, Matteo A. C. Rossi, Piotr Rydlichowski, Hoon Ryu, Georgy Samsonidze, Mitsuhisa Sato, Nishant Saurabh, Vidushi Sharma, Kunal Sharma, Soyoung Shin, George Slessman, Mathias Steiner, Iskandar Sitdikov, In-Saeng Suh, Eric D. Switzer, Wei Tang, Joel Thompson, Synge Todo, Minh C. Tran, Dimitar Trenev, Christian Trott, Huan-Hsin Tseng, Norm M. Tubman, Esin Tureci, David García Valiñas, Sofia Vallecorsa, Christopher Wever, Konrad Wojciechowski, Xiaodi Wu, Shinjae Yoo, Nobuyuki Yoshioka, Victor Wen-zhe Yu, Seiji Yunoki, Sergiy Zhuk, Dmitry Zubarev

Future Gener. Comput. Syst., 2024

AI Driven Laser Parameter Search: Inverse Design of Photonic Surfaces using Greedy Surrogate-based Optimization.

Luka Grbcic, Minok Park, Juliane Müller, Vassilia Zorba, Wibe Albert de Jong

CoRR, 2024

Inverse design of photonic surfaces on Inconel via multi-fidelity machine learning ensemble framework and high throughput femtosecond laser processing.

Luka Grbcic, Minok Park, Mahmoud Elzouka, Ravi Prasher, Juliane Müller, Costas P. Grigoropoulos, Sean D. Lubner, Vassilia Zorba, Wibe Albert de Jong

CoRR, 2024

Effective Quantum Resource Optimization via Circuit Resizing in BQSKit.

Siyuan Niu, Akel Hashim, Costin Iancu, Wibe Albert de Jong, Ed Younis

Proceedings of the 61st ACM/IEEE Design Automation Conference, 2024

2023

Towards Quantum Gravity in the Lab on Quantum Processors.

Illya Shapoval, Vincent Paul Su, Wibe de Jong, Miro Urbánek, Brian Swingle

Quantum, October, 2023

Real-Time Krylov Theory for Quantum Computing Algorithms.

Yizhi Shen, Katherine Klymko, James Sud, David B. Williams-Young, Wibe A. de Jong, Norm M. Tubman

Quantum, July, 2023

Efficient Inverse Design Optimization through Multi-fidelity Simulations, Machine Learning, and Search Space Reduction Strategies.

Luka Grbcic, Juliane Müller, Wibe Albert de Jong

CoRR, 2023

Powerful Quantum Circuit Resizing with Resource Efficient Synthesis.

Siyuan Niu, Akel Hashim, Costin Iancu, Wibe Albert de Jong, Ed Younis

CoRR, 2023

14 Examples of How LLMs Can Transform Materials Science and Chemistry: A Reflection on a Large Language Model Hackathon.

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

CoRR, 2023

Numerical Circuit Synthesis and Compilation for Multi-State Preparation.

Aaron Szasz, Ed Younis, Wibe A. de Jong

Proceedings of the IEEE International Conference on Quantum Computing and Engineering, 2023

HamLib: A Library of Hamiltonians for Benchmarking Quantum Algorithms and Hardware.

Nicolas P. D. Sawaya, Daniel Marti-Dafcik, Yang Ho, Daniel P. Tabor, David Esteban 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

Proceedings of the IEEE International Conference on Quantum Computing and Engineering, 2023

Algebraic Compression of Free Fermionic Quantum Circuits: Particle Creation, Arbitrary Lattices and Controlled Evolution.

Efekan Kökcü, Daan Camps, Lindsay Bassman Oftelie, Wibe A. de Jong, Roel Van Beeumen, Alexander F. Kemper

Proceedings of the IEEE International Conference on Quantum Computing and Engineering, 2023

2022

An Algebraic Quantum Circuit Compression Algorithm for Hamiltonian Simulation.

Daan Camps, Efekan Kökcü, Lindsay Bassman Oftelie, Wibe A. de Jong, Alexander F. Kemper, Roel Van Beeumen

SIAM J. Matrix Anal. Appl., 2022

Test Points for Online Monitoring of Quantum Circuits.

Nikita Acharya, Miroslav Urbánek, Wibe A. de Jong, Samah Mohamed Saeed

ACM J. Emerg. Technol. Comput. Syst., 2022

Accelerating Noisy VQE Optimization with Gaussian Processes.

Juliane Müller, Wim Lavrijsen, Costin Iancu, Wibe de Jong

Proceedings of the IEEE International Conference on Quantum Computing and Engineering, 2022

Spatial Graph Attention and Curiosity-driven Policy for Antiviral Drug Discovery.

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

Proceedings of the Tenth International Conference on Learning Representations, 2022

QUEST: systematically approximating Quantum circuits for higher output fidelity.

Tirthak Patel, Ed Younis, Costin Iancu, Wibe de Jong, Devesh Tiwari

Proceedings of the ASPLOS '22: 27th ACM International Conference on Architectural Support for Programming Languages and Operating Systems, Lausanne, Switzerland, 28 February 2022, 2022

2021

QuaSiMo: A composable library to program hybrid workflows for quantum simulation.

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

IET Quantum Commun., December, 2021

Achieving performance portability in Gaussian basis set density functional theory on accelerator based architectures in NWChemEx.

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

Parallel Comput., 2021

Robust and Resource-Efficient Quantum Circuit Approximation.

Tirthak Patel, Ed Younis, Costin Iancu, Wibe de Jong, Devesh Tiwari

CoRR, 2021

Algebraic Compression of Quantum Circuits for Hamiltonian Evolution.

Efekan Kökcü, Daan Camps, Lindsay Bassman, James K. Freericks, Wibe A. de Jong, Roel Van Beeumen, Alexander F. Kemper

CoRR, 2021

Detecting Label Noise via Leave-One-Out Cross-Validation.

Yu-Hang Tang, Yuanran Zhu, Wibe A. de Jong

CoRR, 2021

Composable Programming of Hybrid Workflows for Quantum Simulation.

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

Proceedings of the 18th IEEE International Conference on Software Architecture Companion, 2021

2020

On the Efficient Evaluation of the Exchange Correlation Potential on Graphics Processing Unit Clusters.

David B. Williams-Young, Wibe A. de Jong, Hubertus Johannes Jacobus Van Dam, Chao Yang

CoRR, 2020

ML4Chem: A Machine Learning Package for Chemistry and Materials Science.

Muammar El Khatib, Wibe A. de Jong

CoRR, 2020

Classical Optimizers for Noisy Intermediate-Scale Quantum Devices.

Wim Lavrijsen, Ana Tudor, Juliane Müller, Costin Iancu, Wibe de Jong

Proceedings of the IEEE International Conference on Quantum Computing and Engineering, 2020

2019

Developing a Computational Chemistry Framework for the Exascale Era.

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

Comput. Sci. Eng., 2019

2018

Prediction of Atomization Energy Using Graph Kernel and Active Learning.

Yu-Hang Tang, Wibe A. de Jong

CoRR, 2018

2017

Open chemistry: RESTful web APIs, JSON, NWChem and the modern web application.

Marcus D. Hanwell, Wibe A. de Jong, Christopher J. Harris

J. Cheminformatics, 2017

Performance Evaluation of NWChem Ab-Initio Molecular Dynamics (AIMD) Simulations on the Intel® Xeon Phi™ Processor.

Eric J. Bylaska, Mathias Jacquelin, Wibe A. de Jong, Jeff R. Hammond, Michael Klemm

Proceedings of the High Performance Computing, 2017

Towards Highly scalable Ab Initio Molecular Dynamics (AIMD) Simulations on the Intel Knights Landing Manycore Processor.

Mathias Jacquelin, Wibe A. de Jong, Eric J. Bylaska

Proceedings of the 2017 IEEE International Parallel and Distributed Processing Symposium, 2017

Towards a better understanding of on and off target effects of the lymphocyte-specific kinase LCK for the development of novel and safer pharmaceuticals.

Xiaofei Zhang, Amir Kucharski, Wibe A. de Jong, Sally R. Ellingson

Proceedings of the International Conference on Computational Science, 2017

2016

Bridging experiment and theory: a template for unifying NMR data and electronic structure calculations.

David M. L. Brown, Herman Cho, Wibe A. de Jong

J. Cheminformatics, 2016

A Hartree-Fock Application Using UPC++ and the New DArray Library.

David Ozog, Amir Kamil, Yili Zheng, Paul Hargrove, Jeff R. Hammond, Allen D. Malony, Wibe de Jong, Kathy Yelick

Proceedings of the 2016 IEEE International Parallel and Distributed Processing Symposium, 2016

Exploiting variability for energy optimization of parallel programs.

Wim Lavrijsen, Costin Iancu, Wibe de Jong, Xin Chen, Karsten Schwan

Proceedings of the Eleventh European Conference on Computer Systems, 2016

2015

Thread-level parallelization and optimization of NWChem for the Intel MIC architecture.

Hongzhang Shan, Samuel Williams, Wibe de Jong, Leonid Oliker

Proceedings of the Sixth International Workshop on Programming Models and Applications for Multicores and Manycores, 2015

Barrier elision for production parallel programs.

Milind Chabbi, Wim Lavrijsen, Wibe de Jong, Koushik Sen, John M. Mellor-Crummey, Costin Iancu

Proceedings of the 20th ACM SIGPLAN Symposium on Principles and Practice of Parallel Programming, 2015

2014

The VENUS/NWChem software package. Tight coupling between chemical dynamics simulations and electronic structure theory.

Upakarasamy Lourderaj, Rui Sun, Swapnil C. Kohale, George L. Barnes, Wibe A. de Jong, Theresa L. Windus, William L. Hase

Comput. Phys. Commun., 2014

2013

From data to analysis: linking NWChem and Avogadro with the syntax and semantics of Chemical Markup Language.

Wibe A. de Jong, Andrew M. Walker, Marcus D. Hanwell

J. Cheminformatics, 2013

Performance Tuning of Fock Matrix and Two-Electron Integral Calculations for NWChem on Leading HPC Platforms.

Hongzhang Shan, Brian Austin, Wibe de Jong, Leonid Oliker, Nicholas J. Wright, Edoardo Aprà

Proceedings of the High Performance Computing Systems. Performance Modeling, Benchmarking and Simulation, 2013

2011

NWChem.

Niranjan Govind, Eric J. Bylaska, Wibe A. de Jong, Karol Kowalski, Tjerk P. Straatsma, Marat Valiev, Hubertus Johannes Jacobus Van Dam

Proceedings of the Encyclopedia of Parallel Computing, 2011

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

Fault-tolerant communication runtime support for data-centric programming models.

Abhinav Vishnu, Huub J. J. Van Dam, Wibe de Jong, Pavan Balaji, Shuaiwen Song

Proceedings of the 2010 International Conference on High Performance Computing, 2010

2009

Liquid water: obtaining the right answer for the right reasons.

Edoardo Aprà, Alistair P. Rendell, Robert J. Harrison, Vinod Tipparaju, Wibe A. de Jong, Sotiris S. Xantheas

Proceedings of the ACM/IEEE Conference on High Performance Computing, 2009

2000

Parallelization of four-component calculations. I. Integral generation, SCF, and four-index transformation in the Dirac-Fock package MOLFDIR.

Markus Pernpointner, Lucas Visscher, Wibe A. de Jong, Ria Broer

J. Comput. Chem., 2000