Martina Stella

A Simple, Exact Density-Functional-Theory Embedding Scheme

Frederick R. Manby, Martina Stella, Jason D. Goodpaster et al. · Journal of Chemical Theory and Computation · 2012 · 394 citations · Full text

Oep Calculations, Engineering, Many-body Quantum Physic +17

Flexibilities of wavelets as a computational basis set for large-scale electronic structure calculations

Laura E. Ratcliff, William Harbutt Dawson, Giuseppe Fisicaro et al. · The Journal of Chemical Physics · 2020 · 108 citations · Full text

Accelerating wavefunction in density-functional-theory embedding by truncating the active basis set

Simon J. Bennie, Martina Stella, Thomas F. Miller et al. · The Journal of Chemical Physics · 2015 · 80 citations · Full text

Quantum Dynamic, Engineering, Many-body Quantum Physic +25

A Projector-Embedding Approach for Multiscale Coupled-Cluster Calculations Applied to Citrate Synthase

Simon J. Bennie, Marc W. van der Kamp, Robert C. R. Pennifold et al. · Journal of Chemical Theory and Computation · 2016 · 74 citations · Full text

Engineering, Chemical Analysis, Molecular Biology +18

Density functional theory calculations of large systems: Interplay between fragments, observables, and computational complexity

William Harbutt Dawson, Augustin Degomme, Martina Stella et al. · Wiley Interdisciplinary Reviews Computational Molecular Science · 2021 · 35 citations

Quantum Dynamic, Computational Technology, Engineering +20