- Home
- Search Results
- Page 1 of 1
Search for: All records
-
Total Resources4
- Resource Type
-
0000000004000000
- More
- Availability
-
22
- Author / Contributor
- Filter by Author / Creator
-
-
Bernardi, Marco (4)
-
Maliyov, Ivan (4)
-
Yao, Jia (2)
-
Zhou, Jin-Jian (2)
-
Chen, Hsiao-Yi (1)
-
Esquembre-Kučukalić, Ali (1)
-
Gardner, David_J (1)
-
Kliavinek, Sergei (1)
-
Le, Khoa B (1)
-
Lu, I-Te (1)
-
Luo, Yao (1)
-
Molina-Sánchez, Alejandro (1)
-
Park, Jinsoo (1)
-
Peng, Shiyu (1)
-
Pinkston, Donnie (1)
-
Sangalli, Davide (1)
-
Tong, Xiao (1)
-
Woodward, Carol_S (1)
-
#Tyler Phillips, Kenneth E. (0)
-
#Willis, Ciara (0)
-
- Filter by Editor
-
-
& Spizer, S. M. (0)
-
& . Spizer, S. (0)
-
& Ahn, J. (0)
-
& Bateiha, S. (0)
-
& Bosch, N. (0)
-
& Brennan K. (0)
-
& Brennan, K. (0)
-
& Chen, B. (0)
-
& Chen, Bodong (0)
-
& Drown, S. (0)
-
& Ferretti, F. (0)
-
& Higgins, A. (0)
-
& J. Peters (0)
-
& Kali, Y. (0)
-
& Ruiz-Arias, P.M. (0)
-
& S. Spitzer (0)
-
& Sahin. I. (0)
-
& Spitzer, S. (0)
-
& Spitzer, S.M. (0)
-
(submitted - in Review for IEEE ICASSP-2024) (0)
-
-
Have feedback or suggestions for a way to improve these results?
!
Note: When clicking on a Digital Object Identifier (DOI) number, you will be taken to an external site maintained by the publisher.
Some full text articles may not yet be available without a charge during the embargo (administrative interval).
What is a DOI Number?
Some links on this page may take you to non-federal websites. Their policies may differ from this site.
-
The Boltzmann transport equation (BTE) with electron-phonon (e-ph) interactions computed from first principles is widely used to study electronic transport and nonequilibrium dynamics in materials. Calculating the e-ph collision integral is the most important step in the BTE, but it remains computationally costly, even with current MPI+OpenMP parallelization. This challenge makes it difficult to study materials with large unit cells and to achieve high resolution in momentum space. Here, we show acceleration of BTE calculations of electronic transport and ultrafast dynamics using graphical processing units (GPUs). We implement a novel data structure and algorithm, optimized for GPU hardware and developed using OpenACC, to process scattering channels and efficiently compute the collision integral. This approach significantly reduces the overhead for data referencing, movement, and synchronization. Relative to the efficient CPU implementation in the open-source package Perturbo (v2.2.0), used as a baseline, this approach achieves a speed-up of 40 times for both transport and nonequilibrium dynamics on GPU hardware, and achieves nearly linear scaling up to 100 GPUs. The novel data structure can be generalized to other electron interactions and scattering processes. We released this GPU implementation in the latest public version (v3.0.0) of Perturbo. The new MPI+OpenMP+GPU parallelization enables sweeping studies of e-ph physics and electron dynamics in conventional and quantum materials, and prepares Perturbo for exascale supercomputing platforms.more » « lessFree, publicly-accessible full text available November 5, 2026
-
Yao, Jia; Maliyov, Ivan; Gardner, David_J; Woodward, Carol_S; Bernardi, Marco (, npj Computational Materials)
-
Le, Khoa B; Esquembre-Kučukalić, Ali; Chen, Hsiao-Yi; Maliyov, Ivan; Luo, Yao; Zhou, Jin-Jian; Sangalli, Davide; Molina-Sánchez, Alejandro; Bernardi, Marco (, Physical Review B)Free, publicly-accessible full text available November 7, 2026
-
Zhou, Jin-Jian; Park, Jinsoo; Lu, I-Te; Maliyov, Ivan; Tong, Xiao; Bernardi, Marco (, Computer Physics Communications)
An official website of the United States government
