ThermoFun: A C++/Python library for computing standard thermodynamic properties of substances and reactions across wide ranges of temperatures and pressuresMiron, G. D., Leal, A. M. M., Dmytrieva, S. V., and Kulik, D. A.2023Journal Article Peer-ReviewedJournal of Open Source Software 8, pp. 4624–4624Abstract ▾DOI: 10.21105/joss.04624Cite
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Computational methods for reactive transport modeling: A Gibbs energy minimization approach for multiphase equilibrium calculationsLeal, A. M. M., Kulik, D. A., and Kosakowski, G.2016Journal Article Peer-ReviewedAdvances in Water Resources 88, pp. 231–240Abstract ▾DOI: 10.1016/j.advwatres.2015.11.021Cite
Computational methods for reactive transport modeling: An extended law of mass-action, xLMA, method for multiphase equilibrium calculationsLeal, A. M. M., Kulik, D. A., Kosakowski, G., and Saar, M. O.2016Journal Article Peer-ReviewedAdvances in Water Resources 96, pp. 405–422Abstract ▾DOI: 10.1016/j.advwatres.2016.08.008Cite
Enabling Gibbs energy minimization algorithms to use equilibrium constants of reactions in multiphase equilibrium calculationsLeal, A. M. M., Kulik, D. A., and Saar, M. O.2016Journal Article Peer-ReviewedChemical Geology 437, pp. 170–181Abstract ▾DOI: 10.1016/j.chemgeo.2016.05.029Cite
Ultra-Fast Reactive Transport Simulations When Chemical Reactions Meet Machine Learning: Chemical EquilibriumLeal, A. M. M., Kulik, D. A., and Saar, M. O.2017PreprintPreprint on arXivCite
Accelerating reactive transport simulations with on-demand machine learningLeal, A. M. M., Kyas, S., Kulik, D. A., and Saar, M. O.2020OtherCite
Ultra-fast geochemical calculations in reactive transport modeling with on-demand learning algorithmsLeal, A. M. M., Kyas, S., Kulik, D. A., and Saar, M. O.2020OtherCite
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Chemical Equilibrium: Numerical Challenges for Efficient and Stable Calculations in Computationally Intensive ApplicationsLeal, M. M., Smith, R. B., Kulik, D. A., and Saar, O.2018OtherCite
