Sparse-Stochastic Fragmented Exchange for Large-Scale Hybrid Time-Dependent Density Functional Theory Calculations
Sereda, Mykola, Allen, Tucker, Bradbury, Nadine C., Ibrahim, Khaled Z., Neuhauser, Daniel
Published in Journal of chemical theory and computation (28.05.2024)
Published in Journal of chemical theory and computation (28.05.2024)
Get full text
Journal Article
Velocity-Gauge Real-Time Time-Dependent Density Functional Tight-Binding for Large-Scale Condensed Matter Systems
Xu, Qiang, Del Ben, Mauro, Sait Okyay, Mahmut, Choi, Min, Ibrahim, Khaled Z., Wong, Bryan M.
Published in Journal of chemical theory and computation (28.11.2023)
Published in Journal of chemical theory and computation (28.11.2023)
Get full text
Journal Article
The Case for Partitioning Virtual Machines on Multicore Architectures
Ibrahim, Khaled Z., Hofmeyr, Steven, Iancu, Costin
Published in IEEE transactions on parallel and distributed systems (01.10.2014)
Published in IEEE transactions on parallel and distributed systems (01.10.2014)
Get full text
Journal Article
Performance analysis of deep learning workloads using roofline trajectories
Javed, M. Haseeb, Ibrahim, Khaled Z., Lu, Xiaoyi
Published in CCF transactions on high performance computing (Online) (01.12.2019)
Published in CCF transactions on high performance computing (Online) (01.12.2019)
Get full text
Journal Article
Gyrokinetic particle-in-cell optimization on emerging multi- and manycore platforms
Madduri, Kamesh, Im, Eun-Jin, Ibrahim, Khaled Z., Williams, Samuel, Ethier, Stéphane, Oliker, Leonid
Published in Parallel computing (01.09.2011)
Published in Parallel computing (01.09.2011)
Get full text
Journal Article
An efficient basis set representation for calculating electrons in molecules
Jones, Jeremiah R., Rouet, François-Henry, Lawler, Keith V., Vecharynski, Eugene, Ibrahim, Khaled Z., Williams, Samuel, Abeln, Brant, Yang, Chao, McCurdy, William, Haxton, Daniel J., Li, Xiaoye S., Rescigno, Thomas N.
Published in Molecular physics (02.07.2016)
Published in Molecular physics (02.07.2016)
Get full text
Journal Article
Implementation of fixed-nuclei polyatomic MCTDHF capability and the future with nuclear motion
Haxton, Daniel J, Lawler, Keith V, Rouet, François-Henry, Jones, Jeremiah R, Ibrahim, Khaled Z, Williams, Samuel, Vecharynski, Eugene, Yang, Chao, Li, Xiaoye, Abeln, Brant, Rescigno, Thomas N, McCurdy, C William
Published in Journal of physics. Conference series (07.09.2015)
Published in Journal of physics. Conference series (07.09.2015)
Get full text
Journal Article
Performance Portability of Sparse Block Diagonal Matrix Multiple Vector Multiplications on GPUs
Ibrahim, Khaled Z., Yang, Chao, Maris, Pieter
Published in 2022 IEEE/ACM International Workshop on Performance, Portability and Productivity in HPC (P3HPC) (01.11.2022)
Published in 2022 IEEE/ACM International Workshop on Performance, Portability and Productivity in HPC (P3HPC) (01.11.2022)
Get full text
Conference Proceeding
Preprocessing Pipeline Optimization for Scientific Deep Learning Workloads
Ibrahim, Khaled Z., Oliker, Leonid
Published in 2022 IEEE International Parallel and Distributed Processing Symposium (IPDPS) (01.05.2022)
Published in 2022 IEEE International Parallel and Distributed Processing Symposium (IPDPS) (01.05.2022)
Get full text
Conference Proceeding
Characterizing the Relation Between Apex-Map Synthetic Probes and Reuse Distance Distributions
Ibrahim, Khaled Z, Strohmaier, Erich
Published in 2010 39th International Conference on Parallel Processing (01.09.2010)
Published in 2010 39th International Conference on Parallel Processing (01.09.2010)
Get full text
Conference Proceeding
Efficient Architectural Support for Secure Bus-Based Shared Memory Multiprocessor
Get full text
Book Chapter
Conference Proceeding
ML-based Performance Portability for Time-Dependent Density Functional Theory in HPC Environments
Dieguez, Adrian P., Choi, Min, Zhu, Xinran, Wong, Bryan M., Ibrahim, Khaled Z.
Published in 2022 IEEE/ACM International Workshop on Performance Modeling, Benchmarking and Simulation of High Performance Computer Systems (PMBS) (01.11.2022)
Published in 2022 IEEE/ACM International Workshop on Performance Modeling, Benchmarking and Simulation of High Performance Computer Systems (PMBS) (01.11.2022)
Get full text
Conference Proceeding
Tuning Floating-Point Precision Using Dynamic Program Information and Temporal Locality
Brunie, Hugo, Iancu, Costin, Ibrahim, Khaled Z., Brisk, Philip, Cook, Brandon
Published in SC20: International Conference for High Performance Computing, Networking, Storage and Analysis (01.11.2020)
Published in SC20: International Conference for High Performance Computing, Networking, Storage and Analysis (01.11.2020)
Get full text
Conference Proceeding
Performance Modeling and Tuning for DFT Calculations on Heterogeneous Architectures
Ahmed, Hadia, Williams-Young, David B., Ibrahim, Khaled Z., Yang, Chao
Published in 2021 IEEE International Parallel and Distributed Processing Symposium Workshops (IPDPSW) (01.06.2021)
Published in 2021 IEEE International Parallel and Distributed Processing Symposium Workshops (IPDPSW) (01.06.2021)
Get full text
Conference Proceeding
Architectural Requirements for Deep Learning Workloads in HPC Environments
Ibrahim, Khaled Z., Nguyen, Tan, Nam, Hai Ah, Bhimji, Wahid, Farrell, Steven, Oliker, Leonid, Rowan, Michael, Wright, Nicholas J., Williams, Samuel
Published in 2021 International Workshop on Performance Modeling, Benchmarking and Simulation of High Performance Computer Systems (PMBS) (01.11.2021)
Published in 2021 International Workshop on Performance Modeling, Benchmarking and Simulation of High Performance Computer Systems (PMBS) (01.11.2021)
Get full text
Conference Proceeding