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Journal of Physics. Condensed Matter : an Institute of Physics Journal|April 6, 2019
Pseudo-fragment approach for extended systems derived from linear-scaling DFTLaura E Ratcliff, Luigi GenoveseThe Journal of Chemical Physics|June 22, 2015
Fragment approach to constrained density functional theory calculations using Daubechies waveletsLaura E Ratcliff, Luigi Genovese, Stephan Mohr, et al.Journal of Chemical Theory and Computation|July 22, 2017
Complexity Reduction in Large Quantum Systems: Fragment Identification and Population Analysis via a Local Optimized Minimal BasisStephan Mohr, Michel Masella, Laura E Ratcliff, et al.Journal of Chemical Theory and Computation|April 26, 2022
Transition-Based Constrained DFT for the Robust and Reliable Treatment of Excitations in Supramolecular SystemsMartina Stella, Kritam Thapa, Luigi Genovese, et al.Journal of Chemical Theory and Computation|March 29, 2020
Complexity Reduction in Density Functional Theory Calculations of Large Systems: System Partitioning and Fragment EmbeddingWilliam Dawson, Stephan Mohr, Laura E Ratcliff, et al.Journal of Physics. Condensed Matter : an Institute of Physics Journal|November 24, 2021
Exploring metastable states in UO2using hybrid functionals and dynamical mean field theoryLaura E Ratcliff, Luigi Genovese, Hyowon Park, et al.The Journal of Chemical Physics|April 27, 2023
Complexity reduction in density functional theory: Locality in space and energyWilliam Dawson, Eisuke Kawashima, Laura E Ratcliff, et al.Journal of Physics. Condensed Matter : an Institute of Physics Journal|January 19, 2018
Affordable and accurate large-scale hybrid-functional calculations on GPU-accelerated supercomputersLaura E Ratcliff, A Degomme, José A Flores-Livas, et al.Physical Chemistry Chemical Physics : PCCP|May 12, 2015
Accurate and efficient linear scaling DFT calculations with universal applicabilityStephan Mohr, Laura E Ratcliff, Luigi Genovese, et al.The Journal of Chemical Physics|June 2, 2014
Daubechies wavelets for linear scaling density functional theoryStephan Mohr, Laura E Ratcliff, Paul Boulanger, et al.Pageof 6