E-LIB Suche - Ergebnisse für: Ian Bush

1

CRYSTAL23: A Program for Computational Solid State Physics ..:

Erba, Alessandro ; Desmarais, Jacques K. ; Casassa, Silvia...
Journal of Chemical Theory and Computation. 19 (2022) 20 - p. 6891-6932 , 2022

Link: https://doi.org/10.1021/..

2

Materials and Molecular Modeling at the Exascale:

Keal, Thomas W. ; Elena, Alin-Marin ; Sokol, Alexey A....
Computing in Science & Engineering. 24 (2022) 1 - p. 36-45 , 2022

Link: https://doi.org/10.1109/..

3

Barely sufficient practices in scientific computing:

Lee, Graham ; Bacon, Sebastian ; Bush, Ian...
Patterns. 2 (2021) 2 - p. 100206 , 2021

Link: https://doi.org/10.1016/..

4

The CRYSTAL code, 1976–2020 and beyond, a long story:

Dovesi, Roberto ; Pascale, Fabien ; Civalleri, Bartolomeo...
The Journal of Chemical Physics. 152 (2020) 20 - p. , 2020

Link: https://doi.org/10.1063/..

5

Elucidating the Interaction of CO2 in the Giant Metal–Organ..:

D'Amore, Maddalena ; Civalleri, Bartolomeo ; Bush, Ian J...
The Journal of Physical Chemistry C. 123 (2019) 47 - p. 28677-28687 , 2019

Link: https://doi.org/10.1021/..

6

QuEST and High Performance Simulation of Quantum Computers:

Jones, Tyson ; Brown, Anna ; Bush, Ian.
Scientific Reports. 9 (2019) 1 - p. , 2019

Link: https://doi.org/10.1038/..

7

Communication: Three-fold covariance imaging of laser-induc..:

Pickering, James D. ; Amini, Kasra ; Brouard, Mark...
The Journal of Chemical Physics. 144 (2016) 16 - p. , 2016

Link: https://doi.org/10.1063/..

8

A new massively parallel version of CRYSTAL for large syste..:

Orlando, Roberto ; Delle Piane, Massimo ; Bush, Ian J....
Journal of Computational Chemistry. 33 (2012) 28 - p. 2276-2284 , 2012

Link: https://doi.org/10.1002/..

9

Introducing k-point parallelism into VASP:

Maniopoulou, Asimina ; Davidson, Erlend R.M. ; Grau-Crespo, Ricardo...
Computer Physics Communications. 183 (2012) 8 - p. 1696-1701 , 2012

Link: https://doi.org/10.1016/..

10

The view from the high end fortran, parallelism and the HEC..:

Bush, Ian J.
ACM SIGPLAN Fortran Forum. 29 (2010) 3 - p. 3-10 , 2010

Link: https://dl.acm.org/doi/1..

11

The view from the high end fortran, parallelism and the HEC..:

Bush, Ian J.
ACM SIGPLAN Fortran Forum. 29 (2010) 3 - p. 3-10 , 2010

Link: https://doi.org/10.1145/..

12

On the Performance of Molecular Dynamics Applications on Cu..:

Hein, Joachim ; Reid, Fiona ; Smith, Lorna...
Philosophical Transactions: Mathematical, Physical and Engineering Sciences. 363 (2005) 1833 - p. 1987-1998 , 2005

Link: https://www.jstor.org/st..

13

HPCx: towards capability computing:

Ashworth, Mike ; Bush, Ian J. ; Guest, Martyn F....
Concurrency and Computation: Practice and Experience. 17 (2005) 10 - p. 1329-1361 , 2005

Link: https://doi.org/10.1002/..

14

The GAMESS-UK electronic structure package: algorithms, dev..:

Guest *, Martyn F. ; Bush, Ian J. ; Van Dam, Huub J. J....
Molecular Physics. 103 (2005) 6-8 - p. 719-747 , 2005

Link: https://doi.org/10.1080/..

15

Breaking the lipid barrier in partition chromatography a st..:

Bush, Ian E.
Steroids. 45 (1985) 6 - p. 479-496 , 1985

Link: https://doi.org/10.1016/..