HylleraasMD: Massively parallel hybrid particle-field molecular dynamics in Python

Dockerfile Python Fortran Submitted 07 January 2022Published 22 April 2023
Review

Editor: @rkurchin (all papers)
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Authors

Morten Ledum (0000-0003-4244-4876), Manuel Carrer (0000-0002-8777-4310), Samiran Sen (0000-0002-1922-7796), Xinmeng Li (0000-0002-6863-6078), Michele Cascella (0000-0003-2266-5399), Sigbjørn Løland Bore (0000-0002-8620-4885)

Citation

Ledum et al., (2023). HylleraasMD: Massively parallel hybrid particle-field molecular dynamics in Python. Journal of Open Source Software, 8(84), 4149, https://doi.org/10.21105/joss.04149

@article{Ledum2023, doi = {10.21105/joss.04149}, url = {https://doi.org/10.21105/joss.04149}, year = {2023}, publisher = {The Open Journal}, volume = {8}, number = {84}, pages = {4149}, author = {Morten Ledum and Manuel Carrer and Samiran Sen and Xinmeng Li and Michele Cascella and Sigbjørn Løland Bore}, title = {HylleraasMD: Massively parallel hybrid particle-field molecular dynamics in Python}, journal = {Journal of Open Source Software} }
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chemistry physics molecular dynamics coarse-grained hybrid particle-field

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