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Ole Schütt

Showing results (1-10 of 8) with videos related to

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Journal of Computational Chemistry|January 3, 2013
Spectroscopic fingerprints of toroidal nuclear quantum delocalization via ab initio path integral simulationsOle Schütt, Daniel Sebastiani
Journal of Chemical Theory and Computation|June 30, 2018
Machine Learning Adaptive Basis Sets for Efficient Large Scale Density Functional Theory SimulationOle Schütt, Joost VandeVondele
The Journal of Chemical Physics|April 27, 2023
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 implementationAugustin Bussy, Ole Schütt, Jürg Hutter
Scientific Data|September 9, 2020
Materials Cloud, a platform for open computational scienceLeopold Talirz, Snehal Kumbhar, Elsa Passaro, et al.
Communications Engineering|December 20, 2024
Feasibility test of per-flight contrail avoidance in commercial aviationAaron Sonabend-W, Carl Elkin, Thomas Dean, et al.
The Journal of Physical Chemistry. B|January 15, 2026
The CP2K Program Package Made SimpleMarcella Iannuzzi, Jan Wilhelm, Frederick Stein, et al.
Journal of Physics. Condensed Matter : an Institute of Physics Journal|March 22, 2017
The atomic simulation environment-a Python library for working with atomsAsk Hjorth Larsen, Jens Jørgen Mortensen, Jakob Blomqvist, et al.
The Journal of Chemical Physics|March 9, 2021
CP2K: An electronic structure and molecular dynamics software package - Quickstep: Efficient and accurate electronic structure calculationsThomas D Kühne, Marcella Iannuzzi, Mauro Del Ben, et al.
Pageof 1

Showing results (1-10 of 8) with videos related to

Sort By:
Pageof 1
Journal of Computational Chemistry|January 3, 2013
Spectroscopic fingerprints of toroidal nuclear quantum delocalization via ab initio path integral simulationsOle Schütt, Daniel Sebastiani
Journal of Chemical Theory and Computation|June 30, 2018
Machine Learning Adaptive Basis Sets for Efficient Large Scale Density Functional Theory SimulationOle Schütt, Joost VandeVondele
The Journal of Chemical Physics|April 27, 2023
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 implementationAugustin Bussy, Ole Schütt, Jürg Hutter
Scientific Data|September 9, 2020
Materials Cloud, a platform for open computational scienceLeopold Talirz, Snehal Kumbhar, Elsa Passaro, et al.
Communications Engineering|December 20, 2024
Feasibility test of per-flight contrail avoidance in commercial aviationAaron Sonabend-W, Carl Elkin, Thomas Dean, et al.
The Journal of Physical Chemistry. B|January 15, 2026
The CP2K Program Package Made SimpleMarcella Iannuzzi, Jan Wilhelm, Frederick Stein, et al.
Journal of Physics. Condensed Matter : an Institute of Physics Journal|March 22, 2017
The atomic simulation environment-a Python library for working with atomsAsk Hjorth Larsen, Jens Jørgen Mortensen, Jakob Blomqvist, et al.
The Journal of Chemical Physics|March 9, 2021
CP2K: An electronic structure and molecular dynamics software package - Quickstep: Efficient and accurate electronic structure calculationsThomas D Kühne, Marcella Iannuzzi, Mauro Del Ben, et al.
Pageof 1