共 50 条
- [1] Large-scale DFT Calculations with the CONQUEST Code COMPUTATIONAL METHODS IN SCIENCE AND ENGINEERING, VOL 2: ADVANCES IN COMPUTATIONAL SCIENCE, 2009, 1148 : 685 - +
- [2] Perspective: Methods for large-scale density functional calculations on metallic systems JOURNAL OF CHEMICAL PHYSICS, 2016, 145 (22):
- [3] Large-scale DFT simulation on metallic nanoparticle catalysts ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2019, 257
- [4] Challenges and advances in large-scale DFT calculations on GPUs ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2014, 248
- [9] Structural and Electronic Properties of Graphdiyne Carbon Nanotubes from Large-Scale DFT Calculations JOURNAL OF PHYSICAL CHEMISTRY C, 2016, 120 (33): : 18871 - 18877