Ole Schütt - Publications, H-index & Citations

Ole Schütt

swiss federal institutes of technology domain

17H指数

34论文数

9.9K被引数

收录论文 6

发表时间

Sparse tensor based nuclear gradients for periodic Hartree-Fock and low-scaling correlated wave function methods in the CP2K software package: A massively parallel and GPU accelerated implementation

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2023-04-27

OAAI

Bussy, Augustin; Schutt, Ole; Hutter, Jurg

AiiDAlab - an ecosystem for developing, executing, and sharing scientific workflows AiiDAlab-开发、执行和共享科学工作流程的生态系统

COMPUTATIONAL MATERIALS SCIENCE

IF3.3

2021-02-01

OAAI

Yakutovich, Aliaksandr, V; Eimre, Kristjan; Schutt, Ole; Talirz, Leopold; Adorf, Carl S.; Andersen, Casper W.; Ditler, Edward; Du, Dou; Passerone, Daniele; Smit, Berend; Marzari, Nicola; Pizzi, Giovanni; Pignedoli, Carlo A.

CP2K: An electronic structure and molecular dynamics software package - Quickstep: Efficient and accurate electronic structure calculations CP2K: 电子结构和分子动力学软件包-Quickstep: 高效准确的电子结构计算

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2020-05-19

2.3K

OAAI

Kuehne, Thomas D.; Iannuzzi, Marcella; Del Ben, Mauro; Rybkin, Vladimir V.; Seewald, Patrick; Stein, Frederick; Laino, Teodoro; Khaliullin, Rustam Z.; Schutt, Ole; Schiffmann, Florian; Golze, Dorothea; Wilhelm, Jan; Chulkov, Sergey; Bani-Hashemian, Mohammad Hossein; Weber, Valery; Borstnik, Urban; Taillefumier, Mathieu; Jakobovits, Alice Shoshana; Lazzaro, Alfio; Pabst, Hans; Mueller, Tiziano; Schade, Robert; Guidon, Manuel; Andermatt, Samuel; Holmberg, Nico; Schenter, Gregory K.; Hehn, Anna; Bussy, Augustin; Belleflamme, Fabian; Tabacchi, Gloria; Gloss, Andreas; Lass, Michael; Bethune, Iain; Mundy, Christopher J.; Plessl, Christian; Watkins, Matt; VandeVondele, Joost; Krack, Matthias; Hutter, Jurg

Machine Learning Adaptive Basis Sets for Efficient Large Scale Density Functional Theory Simulation

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2018-06-29

OAAI

Schuett, Ole; VandeVondele, Joost

Enabling simulation at the fifth rung of DFT: Large scale RPA calculations with excellent time to solution

COMPUTER PHYSICS COMMUNICATIONS

IF3.4

2015-02-01

OAAI

Del Ben, Mauro; Schuett, Ole; Wentz, Tim; Messmer, Peter; Hutter, Juerg; VandeVondele, Joost