Ardita Shkurti

Publication Activity (10 Years)

Years Active: 2010-2019
Publications (10 Years): 4

Top Topics

Machine Learning

Simulation Data

Top Venues

J. Comput. Chem.

Publications

James L. McDonagh, Ardita Shkurti, David J. Bray, Richard L. Anderson, Edward O. Pyzer-Knapp
Utilizing Machine Learning for Efficient Parameterization of Coarse Grained Molecular Force Fields. J. Chem. Inf. Model. 59 (10) (2019)
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 (2016)
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 (2016)
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)
Ardita Shkurti, Mario Orsi, Enrico Macii, Elisa Ficarra, Andrea Acquaviva
Acceleration of coarse grain molecular dynamics on GPU architectures. J. Comput. Chem. 34 (10) (2013)
Ardita Shkurti, Andrea Acquaviva, Elisa Ficarra, Mario Orsi, Enrico Macii
Characterization of Coarse Grain Molecular Dynamic Simulation Performance on Graphic Processing Unit Architectures. BIOINFORMATICS (2012)
Ardita Shkurti, Andrea Acquaviva, Elisa Ficarra, Enrico Macii, Mario Orsi, Martino Ruggiero
GPU acceleration of simulation tool for lipid-bilayers. BIBM Workshops (2010)