Quantum Dynamics at Scale-Reference-Cited by-同舟云学术

Quantum Dynamics at Scale

Published:2020-01-15 Issue: Volume: Page:
ISSN:
Container-title:Proceedings of the International Conference on High Performance Computing in Asia-Pacific Region
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Author:

Tiwari Subodh C¹,Krishnamoorthy Aravind¹,Rajak Pankaj²,Sakdhnagool Putt³,Kunaseth Manaschai³,Shimojo Fuyuki⁴,Fukushima Shogo⁴,Nakano Aiichiro¹,Luo Ye²,Kalia Rajiv K.¹,Nomura Ken-ichi¹,Vashishta Priya¹

Affiliation:

1. Collaboratory for Advanced Computing and Simulations, University of Southern California, Los Angeles, CA, U.S.

2. Argonne Leadership Computing Facility, Argonne National Laboratory, Lemont, IL, U.S.

3. NSTDA Supercomputer Center, National Science and Technology Development Agency, Pathum Thani, Thailand

4. Department of Physics, Kumamoto University, Kumamoto, Japan

Publisher

ACM

Link

https://dl.acm.org/doi/pdf/10.1145/3368474.3368489

Reference43 articles.

1. Unified Approach for Molecular Dynamics and Density-Functional Theory

2. Iterative minimization techniques forab initiototal-energy calculations: molecular dynamics and conjugate gradients

3. F. Shimojo S. Fukushima H. Kumazoe M. Misawa S. Ohmura P. Rajak K. Shimamura L. Bassman S. C. Tiwari R. K. Kalia A. Nakano and P. Vashishta. 2019. QXMD: an open-source program for nonadiabatic quantum molecular dynamics. SoftwareX 10 100307 https://doi.org/10.1016/j.softx.2019.100307 F. Shimojo S. Fukushima H. Kumazoe M. Misawa S. Ohmura P. Rajak K. Shimamura L. Bassman S. C. Tiwari R. K. Kalia A. Nakano and P. Vashishta. 2019. QXMD: an open-source program for nonadiabatic quantum molecular dynamics. SoftwareX 10 100307 https://doi.org/10.1016/j.softx.2019.100307

4. Towards properties on demand in quantum materials

5. Van der Waals heterostructures

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