Pushing configuration-interaction to the limit: Towards massively parallel MCSCF calculations von Vogiatzis, Konstantinos D., Ma, Dongxia, Olsen, Jeppe, Gagliardi, Laura, de Jong, Wibe A.

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Quantum Algorithm for High Energy Physics Simulations von Nachman, Benjamin, Provasoli, Davide, de Jong, Wibe A, Bauer, Christian W

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Prediction of atomization energy using graph kernel and active learning von Tang, Yu-Hang, de Jong, Wibe A.

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Chelation and stabilization of berkelium in oxidation state +IV von Deblonde, Gauthier J.-P., Sturzbecher-Hoehne, Manuel, Rupert, Peter B., An, Dahlia D., Illy, Marie-Claire, Ralston, Corie Y., Brabec, Jiri, de Jong, Wibe A., Strong, Roland K., Abergel, Rebecca J.

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A parallel, distributed memory implementation of the adaptive sampling configuration interaction method von Williams-Young, David B., Tubman, Norm M., Mejuto-Zaera, Carlos, de Jong, Wibe A.

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PluginPlay: Enabling exascale scientific software one module at a time von Richard, Ryan M., Keipert, Kristopher, Waldrop, Jonathan, Keçeli, Murat, Williams-Young, David, Bair, Raymond, Boschen, Jeffery, Crandall, Zachery, Gasperich, Kevin, Mahmud, Quazi Ishtiaque, Panyala, Ajay, Valeev, Edward, van Dam, Hubertus, de Jong, Wibe A., Windus, Theresa L.

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Stochastic resolution of identity second-order Matsubara Green’s function theory von Takeshita, Tyler Y., Dou, Wenjie, Smith, Daniel G. A., de Jong, Wibe A., Baer, Roi, Neuhauser, Daniel, Rabani, Eran

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Distributed memory, GPU accelerated Fock construction for hybrid, Gaussian basis density functional theory von Williams-Young, David B., Asadchev, Andrey, Popovici, Doru Thom, Clark, David, Waldrop, Jonathan, Windus, Theresa L., Valeev, Edward F., de Jong, Wibe A.

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Exploring finite temperature properties of materials with quantum computers von Powers, Connor, Bassman Oftelie, Lindsay, Camps, Daan, de Jong, Wibe A.

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Simulating dirty bosons on a quantum computer von Oftelie, Lindsay Bassman, Van Beeumen, Roel, Camps, Daan, de Jong, Wibe A, Dupont, Maxime

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Stochastic Formulation of the Resolution of Identity: Application to Second Order Møller–Plesset Perturbation Theory von Takeshita, Tyler Y, de Jong, Wibe A, Neuhauser, Daniel, Baer, Roi, Rabani, Eran

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The Effect of Geometry, Spin, and Orbital Optimization in Achieving Accurate, Correlated Results for Iron–Sulfur Cubanes von Mejuto-Zaera, Carlos, Tzeli, Demeter, Williams-Young, David, Tubman, Norm M, Matoušek, Mikuláš, Brabec, Jiri, Veis, Libor, Xantheas, Sotiris S, de Jong, Wibe A

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The VENUS/NWChem software package. Tight coupling between chemical dynamics simulations and electronic structure theory von Lourderaj, Upakarasamy, Sun, Rui, Kohale, Swapnil C., Barnes, George L., de Jong, Wibe A., Windus, Theresa L., Hase, William L.

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Mitigating Depolarizing Noise on Quantum Computers with Noise-Estimation Circuits von Urbanek, Miroslav, Nachman, Benjamin, Pascuzzi, Vincent R, He, Andre, Bauer, Christian W, de Jong, Wibe A

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Indirect Dynamics in a Highly Exoergic Substitution Reaction von Mikosch, Jochen, Zhang, Jiaxu, Trippel, Sebastian, Eichhorn, Christoph, Otto, Rico, Sun, Rui, de Jong, Wibe A, Weidemüller, Matthias, Hase, William L, Wester, Roland

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Resource-Efficient Chemistry on Quantum Computers with the Variational Quantum Eigensolver and the Double Unitary Coupled-Cluster Approach von Metcalf, Mekena, Bauman, Nicholas P, Kowalski, Karol, de Jong, Wibe A

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Strengthening of the Coordination Shell by Counter Ions in Aqueous Th4+ Solutions von Atta-Fynn, Raymond, Bylaska, Eric J, de Jong, Wibe A

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Quantum simulation of open quantum systems in heavy-ion collisions von de Jong, Wibe A., Metcalf, Mekena, Mulligan, James, Płoskoń, Mateusz, Ringer, Felix, Yao, Xiaojun

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Chemistry on Quantum Computers with Virtual Quantum Subspace Expansion von Urbanek, Miroslav, Camps, Daan, Van Beeumen, Roel, de Jong, Wibe A

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Reliable modeling of the electronic spectra of realistic uranium complexes von Tecmer, Paweł, Govind, Niranjan, Kowalski, Karol, de Jong, Wibe A, Visscher, Lucas

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