You must login before you can run this tool.
DFT calculations with Quantum ESPRESSO
DFT calculations of molecules and solids
Version 2.10.1 - published on 14 Aug 2023
doi:10.21981/1RT6-BB82 cite this
This tool is closed source.
Citations Non-affiliated (1) | Affiliated (2)
Non-affiliated authors
- R. Mansbach, A. Ferguson, K. Kilian, J. Krogstad, C. Leal, A. Schleife, D. Trinkle, M. West, G. Herman, (2016), "REFORMING AN UNDERGRADUATE MATERIALS SCIENCE CURRICULUM WITH COMPUTATIONAL MODULES", Journal of Materials Education, 38, 3: pg: 161-174
Affiliated authors
- Erik van der Giessen, Peter Schultz, Nicolas Bertin, Vasily Bulatov, Wei Cai, Gabor Csanyi, Stephen Foiles, MGD Geers, Carlos Gonzalez, Markus Hutter, Woo Kim, Dennis Kochmann, Javier Llorca, Ann Mattsson, Jorg Rottler, Alexander Shluger, Ryan Sills, Ingo Steinbach, Alejandro Strachan, Ellad Tadmor, (2020), "Roadmap On Multiscale Materials Modeling", Modelling And Simulation In Materials Science And Engineering, IOP Publishing, 28, 4: pg: 1-62, (DOI: https://doi.org/10.1088/1361-651X/ab7150)
- T Faltens, Alejandro Strachan, Gerhard Klimeck, (2015), "Nanohub As A Platform For Implementing ICME Simulations In Research And Education", Computational Materials, : pg: 269-276