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ORCIDBert de Jong
Wibe A. de Jong – Wibe Albert de Jong
Person information
- affiliation: Lawrence Berkeley National Laboratory, Berkeley, CA, USA
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2020 – today
- 2025
[j21]Luka Grbcic
, Juliane Müller, Wibe Albert de Jong:
AutoTandemML: Active learning enhanced tandem neural networks for inverse design problems. Appl. Soft Comput. 184: 113828 (2025)- [j20]Luka Grbcic, Minok Park, Juliane Mueller, Vassilia Zorba, Wibe Albert de Jong:
Artificial intelligence driven laser parameter search: Inverse design of photonic surfaces using greedy surrogate-based optimization. Eng. Appl. Artif. Intell. 143: 109971 (2025) - [j19]Aaron Szasz, Ed Younis, Wibe Albert de Jong:
Ground state energy and magnetization curve of a frustrated magnetic system from real-time evolution on a digital quantum processor. Quantum 9: 1704 (2025) - [i15]Luka Grbcic, Juliane Mueller, Wibe Albert de Jong:
AutoTandemML: Active Learning Enhanced Tandem Neural Networks for Inverse Design Problems. CoRR abs/2502.15643 (2025) - 2024
- [j18]Luka Grbcic, Juliane Müller, Wibe Albert de Jong:
Efficient inverse design optimization through multi-fidelity simulations, machine learning, and boundary refinement strategies. Eng. Comput. 40(6): 4081-4108 (2024) - [j17]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:
Quantum-centric supercomputing for materials science: A perspective on challenges and future directions. Future Gener. Comput. Syst. 160: 666-710 (2024) - [j16]Huo Chen, Niladri Gomes, Siyuan Niu, Wibe Albert de Jong:
Adaptive variational simulation for open quantum systems. Quantum 8: 1252 (2024) - [j15]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 C. Benjamin, Ojas Parekh, Norm M. Tubman, Katherine Klymko, Daan Camps:
HamLib: A library of Hamiltonians for benchmarking quantum algorithms and hardware. Quantum 8: 1559 (2024) - [c12]Siyuan Niu, Akel Hashim, Costin Iancu, Wibe Albert de Jong, Ed Younis:
Effective Quantum Resource Optimization via Circuit Resizing in BQSKit. DAC 2024: 321:1-321:6 - [c11]Mohammad Walid Charrwi, Georgios Ioannou, Ed Younis, Wibe Albert de Jong, Samah Mohamed Saeed:
Quantum Circuit Partitioning for Scalable Noise-Aware Quantum Circuit Re-Synthesis. QCE 2024: 359-364 - [c10]Justin Kalloor, Mathias Weiden, Ed Younis, John Kubiatowicz, Bert de Jong, Costin Iancu:
Quantum Hardware Roofline: Evaluating the Impact of Gate Expressivity on Quantum Processor Design. QCE 2024: 805-816 - [i14]Justin Kalloor, Mathias Weiden, Ed Younis, John Kubiatowicz, Bert de Jong, Costin Iancu:
Quantum Hardware Roofline: Evaluating the Impact of Gate Expressivity on Quantum Processor Design. CoRR abs/2403.00132 (2024) - [i13]Luka Grbcic, Minok Park, Mahmoud Elzouka, Ravi Prasher, Juliane Müller, Costas P. Grigoropoulos, Sean D. Lubner, Vassilia Zorba, Wibe Albert de Jong:
Inverse design of photonic surfaces on Inconel via multi-fidelity machine learning ensemble framework and high throughput femtosecond laser processing. CoRR abs/2406.01471 (2024) - [i12]Luka Grbcic, Minok Park, Juliane Müller, Vassilia Zorba, Wibe Albert de Jong:
AI Driven Laser Parameter Search: Inverse Design of Photonic Surfaces using Greedy Surrogate-based Optimization. CoRR abs/2407.03356 (2024) - 2023
- [j14]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) - [c9]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 - [c8]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 C. 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 - [c7]Aaron Szasz, Ed Younis, Wibe A. de Jong:
Numerical Circuit Synthesis and Compilation for Multi-State Preparation. QCE 2023: 768-778 - [i11]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) - [i10]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) - [i9]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
- [j13]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) - [j12]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) - [j11]Yuri Alexeev, Alex McCaskey, Wibe A. de Jong:
Introduction to the Special Issue on Software Tools for Quantum Computing: Part 1. ACM Trans. Quantum Comput. 3(3): 11:1-11:3 (2022) - [j10]Lindsay Bassman Oftelie, Connor Powers, Wibe A. de Jong:
ArQTiC: A Full-stack Software Package for Simulating Materials on Quantum Computers. ACM Trans. Quantum Comput. 3(3): 17:1-17:17 (2022) - [c6]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 - 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) - [c5]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 - [i8]Yu-Hang Tang, Yuanran Zhu, Wibe A. de Jong:
Detecting Label Noise via Leave-One-Out Cross-Validation. CoRR abs/2103.11352 (2021) - [i7]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) - [i6]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) - [i5]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) - 2020
- [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) - [c4]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 - [c3]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 - [c2]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) - 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) - 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)
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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