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Journal Articles
- 2019
[j2]Iain Bethune
, Ralf Banisch, Elena Breitmoser, Antonia B. K. Collis, Gordon Gibb, Gianpaolo Gobbo, Charles Matthews, Graeme J. Ackland, Benedict J. Leimkuhler:
MIST: A simple and efficient molecular dynamics abstraction library for integrator development. Comput. Phys. Commun. 236: 224-236 (2019)- 2016
- [j1]Ardita Shkurti, Josep Ramón Goñi, Pau Andrio, Elena Breitmoser, Iain Bethune, Modesto Orozco, Charles A. Laughton:
pyPcazip: A PCA-based toolkit for compression and analysis of molecular simulation data. SoftwareX 5: 44-50 (2016)
Conference and Workshop Papers
- 2016
- [c2]Vivekanandan Balasubramanian, Iain Bethune, Ardita Shkurti, Elena Breitmoser, Eugen Hruska, Cecilia Clementi, Charles A. Laughton, Shantenu Jha:
ExTASY: Scalable and flexible coupling of MD simulations and advanced sampling techniques. eScience 2016: 361-370 - 2007
- [c1]Gavin J. Pringle, Terence M. Sloan, Elena Breitmoser, Odysseas Bournas, Arthur S. Trew:
Submission Scripts for Scientific Simulations on DEISA. PARCO 2007: 705-711
Informal and Other Publications
- 2016
- [i1]Vivekanandan Balasubramanian, Iain Bethune, Ardita Shkurti, Elena Breitmoser, Eugen Hruska, Cecilia Clementi, Charles A. Laughton, Shantenu Jha:
ExTASY: Scalable and Flexible Coupling of MD Simulations and Advanced Sampling Techniques. CoRR abs/1606.00093 (2016)
Coauthor Index
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