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Andrea Cepellotti
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Journal Articles
- 2017
- [j1]Andrius Merkys, Nicolas Mounet, Andrea Cepellotti, Nicola Marzari, Saulius Grazulis, Giovanni Pizzi:
A posteriori metadata from automated provenance tracking: integration of AiiDA and TCOD. J. Cheminformatics 9(1): 56:1-56:11 (2017)
Conference and Workshop Papers
- 2018
- [c1]Wei Hu, Meiyue Shao, Andrea Cepellotti, Felipe H. da Jornada, Lin Lin, Kyle Thicke, Chao Yang, Steven G. Louie:
Accelerating Optical Absorption Spectra and Exciton Energy Computation via Interpolative Separable Density Fitting. ICCS (2) 2018: 604-617
Informal and Other Publications
- 2020
- [i3]Sebastiaan P. Huber, Spyros Zoupanos, Martin Uhrin, Leopold Talirz, Leonid Kahle, Rico Häuselmann, Dominik Gresch, Tiziano Müller, Aliaksandr V. Yakutovich, Casper W. Andersen, Francisco F. Ramirez, Carl S. Adorf, Fernando Gargiulo, Snehal Kumbhar, Elsa Passaro, Conrad Johnston, Andrius Merkys, Andrea Cepellotti, Nicolas Mounet, Nicola Marzari, Boris Kozinsky, Giovanni Pizzi:
AiiDA 1.0, a scalable computational infrastructure for automated reproducible workflows and data provenance. CoRR abs/2003.12476 (2020) - [i2]Yu Xie, Jonathan Vandermause, Lixin Sun, Andrea Cepellotti, Boris Kozinsky:
Fast Bayesian Force Fields from Active Learning: Study of Inter-Dimensional Transformation of Stanene. CoRR abs/2008.11796 (2020) - 2015
- [i1]Giovanni Pizzi, Andrea Cepellotti, Riccardo Sabatini, Nicola Marzari, Boris Kozinsky:
AiiDA: Automated Interactive Infrastructure and Database for Computational Science. CoRR abs/1504.01163 (2015)
Coauthor Index
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