Etienne Palos

Assessing the Interplay between Functional-Driven and Density-Driven Errors in DFT Models of Water

Etienne Palos, Eleftherios Lambros, Steven Swee et al. · Journal of Chemical Theory and Computation · 2022 · 54 citations

General Many-Body Framework for Data-Driven Potentials with Arbitrary Quantum Mechanical Accuracy: Water as a Case Study

Eleftherios Lambros, Saswata Dasgupta, Etienne Palos et al. · Journal of Chemical Theory and Computation · 2021 · 42 citations · Full text

Data-driven many-body potentials from density functional theory for aqueous phase chemistry

Etienne Palos, Saswata Dasgupta, Eleftherios Lambros et al. · Chemical Physics Reviews · 2023 · 28 citations · Full text

Aqueous Phase Chemistry, Molecular Kinetics, Engineering +15

General Many-Body Framework for Data-Driven Potentials with Arbitrary Quantum Mechanical Accuracy: Water as a Case Study

Eleftherios Lambros, Saswata Dasgupta, Etienne Palos et al. · 2021 · 23 citations · Full text

Quantum Dynamic, Engineering, Many-body Quantum Physic +22

Many-body interactions and deep neural network potentials for water

Yaoguang Zhai, Richa Rashmi, Etienne Palos et al. · The Journal of Chemical Physics · 2024 · 20 citations · Full text

Many-body Interactions, Biophysical Modeling, Engineering +17