BraWl: Simulating the thermodynamics and phase stability of multicomponent alloys using conventional and enhanced sampling techniques

C Fortran Python Submitted 13 May 2025Published 04 December 2025
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Authors

Hubert J. Naguszewski (0009-0006-1670-5437), Livia B. Pártay (0000-0003-3249-3586), David Quigley (0000-0003-4750-4372), Christopher D. Woodgate (0000-0003-4876-5558)

Citation

Naguszewski et al., (2025). BraWl: Simulating the thermodynamics and phase stability of multicomponent alloys using conventional and enhanced sampling techniques. Journal of Open Source Software, 10(116), 8346, https://doi.org/10.21105/joss.08346

@article{Naguszewski2025, doi = {10.21105/joss.08346}, url = {https://doi.org/10.21105/joss.08346}, year = {2025}, publisher = {The Open Journal}, volume = {10}, number = {116}, pages = {8346}, author = {Naguszewski, Hubert J. and Pártay, Livia B. and Quigley, David and Woodgate, Christopher D.}, title = {BraWl: Simulating the thermodynamics and phase stability of multicomponent alloys using conventional and enhanced sampling techniques}, journal = {Journal of Open Source Software} }
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Physics Chemistry Materials Science Alloys Statistical Mechanics Thermodynamics

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