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Optimization of density functional tight-binding and classical reactive molecular dynamics for high-throughput simulations of carbon materials.

J. Jakowski, B. Hadri, S. Stuart, P. Krstic, S. Irle, D. Nugawela, and S. Garashchuk. XSEDE, page 36:1-36:7. ACM, (2012)

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Mareike Jakowski

Norbert Jakowski

Gabriele Jacek

Anorte Elisabeth Jakowski

Jacek Roslak

Other publications of authors with the same name

The hybrid Quantum Trajectory/Electronic Structure DFTB-based approach to Molecular Dynamics.L. Wang, J. Mazzuca, S. Garashchuk, and J. Jakowski. XSEDE, page 24:1-24:8. ACM, (2014)Enhancing Ion Migration in Grain Boundaries of Hybrid Organic–Inorganic Perovskites by ChlorineB. Yang, C. Brown, J. Huang, L. Collins, X. Sang, R. Unocic, S. Jesse, S. Kalinin, A. Belianinov, J. Jakowski and 4 other author(s). Advanced Functional Materials, 27 (26): n/a--n/a (2017)Optimization of density functional tight-binding and classical reactive molecular dynamics for high-throughput simulations of carbon materials.J. Jakowski, B. Hadri, S. Stuart, P. Krstic, S. Irle, D. Nugawela, and S. Garashchuk. XSEDE, page 36:1-36:7. ACM, (2012)Highly Energetic Collisions of Xe with Fullerene Clusters.D. Nugawela, S. Stuart, and J. Jakowski. XSEDE, page 18:1-18:8. ACM, (2014)Molecular Symmetry in VQE: A Dual Approach for Trapped-Ion Simulations of Benzene.J. Goings, L. Zhao, J. Jakowski, T. Morris, and R. Pooser. QCE, page 76-82. IEEE, (2023)A Computational Workflow for Designing Silicon Donor Qubits.T. Humble, M. Ericson, J. Jakowski, J. Huang, C. Britton, F. Curtis, E. Dumitrescu, F. Mohiyaddin, and B. Sumpter. CoRR, (2016)A fast scheme to calculate electronic couplings between P3HT polymer units using diabatic orbitals for charge transfer dynamics simulations.T. Yu, F. Fabunmi, J. Huang, B. Sumpter, and J. Jakowski. J. Comput. Chem., 40 (2): 532-542 (2019)

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Disambiguation of "Jakowski, Jacek"

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Optimization of density functional tight-binding and classical reactive molecular dynamics for high-throughput simulations of carbon materials.

Please choose a person to relate this publication to

Mareike Jakowski

Norbert Jakowski

Gabriele Jacek

Anorte Elisabeth Jakowski

Jacek Roslak

Other publications of authors with the same name

Disambiguation

BibSonomy

Disambiguation of "Jakowski, Jacek"

copydeleteadd this publication to your clipboardcommunity posthistory of this postURLDOIBibTeXEndNoteAPAChicagoDIN 1505HarvardMSOffice XML Optimization of density functional tight-binding and classical reactive molecular dynamics for high-throughput simulations of carbon materials.

Please choose a person to relate this publication to

Mareike Jakowski

Norbert Jakowski

Gabriele Jacek

Anorte Elisabeth Jakowski

Jacek Roslak

Other publications of authors with the same name

Disambiguation

copy delete add this publication to your clipboard
community post
history of this post
URL
DOI
BibTeX
EndNote
APA
Chicago
DIN 1505
Harvard
MSOffice XML

Optimization of density functional tight-binding and classical reactive molecular dynamics for high-throughput simulations of carbon materials.