| An overview of computational methods for chemical equilibrium and kinetic calculations for geochemical and reactive transport modeling AMM Leal, DA Kulik, WR Smith, MO Saar Pure and Applied Chemistry 89 (5), 597-643, 2017 | 79 | 2017 |
| Efficient chemical equilibrium calculations for geochemical speciation and reactive transport modelling AMM Leal, MJ Blunt, TC LaForce Geochimica et Cosmochimica Acta 131, 301-322, 2014 | 67 | 2014 |
| Computational methods for reactive transport modeling: A Gibbs energy minimization approach for multiphase equilibrium calculations AMM Leal, DA Kulik, G Kosakowski Advances in Water Resources 88, 231-240, 2016 | 43 | 2016 |
| A robust and efficient numerical method for multiphase equilibrium calculations: Application to CO2–brine–rock systems at high temperatures, pressures and salinities AMM Leal, MJ Blunt, TC LaForce Advances in water resources 62, 409-430, 2013 | 41 | 2013 |
| A chemical kinetics algorithm for geochemical modelling AMM Leal, MJ Blunt, TC LaForce Applied Geochemistry 55, 46-61, 2015 | 39 | 2015 |
| Accelerating reactive transport modeling: on-demand machine learning algorithm for chemical equilibrium calculations AMM Leal, S Kyas, DA Kulik, MO Saar Transport in Porous Media 133 (2), 161-204, 2020 | 31 | 2020 |
| autodiff, a modern, fast and expressive C++ library for automatic differentiation AMM Leal https://autodiff.github.io, 2018 | 29 | 2018 |
| Thermodynamic Properties of Aqueous Species Calculated Using the HKF Model: How Do Different Thermodynamic and Electrostatic Models for Solvent Water Affect Calculated Aqueous … GD Miron, AMM Leal, A Yapparova Geofluids 2019, 2019 | 25 | 2019 |
| Computational methods for reactive transport modeling: An extended law of mass-action, xLMA, method for multiphase equilibrium calculations AMM Leal, DA Kulik, G Kosakowski, MO Saar Advances in water resources 96, 405-422, 2016 | 23 | 2016 |
| Enabling Gibbs energy minimization algorithms to use equilibrium constants of reactions in multiphase equilibrium calculations AMM Leal, DA Kulik, MO Saar Chemical Geology 437, 170-181, 2016 | 22 | 2016 |
| Implementing an Equation of State without Derivatives: teqp IH Bell, UK Deiters, AMM Leal Industrial & Engineering Chemistry Research 61 (17), 6010-6027, 2022 | 20 | 2022 |
| Calculating thermophysical fluid properties during geothermal energy production with NESS and Reaktoro SDC Walsh, N Garapati, AMM Leal, MO Saar Geothermics 70, 146-154, 2017 | 19 | 2017 |
| Ultra-fast reactive transport simulations when chemical reactions meet machine learning: chemical equilibrium AMM Leal, DA Kulik, MO Saar arXiv preprint arXiv:1708.04825, 2017 | 16 | 2017 |
| Reaktoro: An open-source unified framework for modeling chemically reactive systems AMM Leal | 15 | 2015 |
| Reaktoro: A unified framework for modeling chemically reactive systems AM Leal URL: www. reaktoro. org, 2015 | 13 | 2015 |
| autodiff, a modern, fast and expressive C++ library for automatic differentiation (2018) AMM Leal URL: https://autodiff. github. io, 2020 | 10 | 2020 |
| Accelerated reactive transport simulations in heterogeneous porous media using Reaktoro and Firedrake S Kyas, D Volpatto, MO Saar, AMM Leal Computational Geosciences 26 (2), 295-327, 2022 | 9 | 2022 |
| Reaktoro: A unified framework for modeling chemically reactive systems, 2015 AMM Leal URL www. reaktoro. org, 0 | 6 | |
| Inverse chemical equilibrium problems: General formulation and algorithm AMM Leal, WR Smith Chemical Engineering Science 252, 117162, 2022 | 3 | 2022 |
| Computational methods for geochemical modelling: applications to carbon dioxide sequestration AMM Leal Imperial College London, 2014 | 3 | 2014 |
Martin O. SaarProfessor of Earth Sciences ETH ZurichVerified email at ethz.ch
