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Lista de obras de Laura E Ratcliff

Affordable and accurate large-scale hybrid-functional calculations on GPU-accelerated supercomputers

artículo científico publicado en 2018

Calculating optical absorption spectra for large systems using linear-scaling density functional theory

scholarly article in Physical Review B, vol. 84 no. 16, October 2011

Chemically Selective Alternatives to Photoferroelectrics for Polarization-Enhanced Photocatalysis: The Untapped Potential of Hybrid Inorganic Nanotubes

artículo científico publicado en 2016

Combining Pseudopotential and All Electron Density Functional Theory for the Efficient Calculation of Core Spectra Using a Multiresolution Approach

scientific article published on 14 May 2019

Complexity Reduction in Density Functional Theory Calculations of Large Systems: System Partitioning and Fragment Embedding

scientific article published on 09 April 2020

Predicting Core Level Photoelectron Spectra of Amino Acids Using Density Functional Theory

artículo científico publicado en 2020

Pseudo-fragment approach for extended systems derived from linear-scaling DFT

artículo científico publicado en 2019

Transition-Based Constrained DFT for the Robust and Reliable Treatment of Excitations in Supramolecular Systems

artículo científico publicado en 2022

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