List of works - William Dawson - Paulina

List of works by William Dawson

A Simple Model for Relative Energies of All Fullerenes Reveals the Interplay between Intrinsic Resonance and Structural Deformation Effects in Medium-Sized Fullerenes

scientific article published on 31 January 2019

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

scientific article published on 09 April 2020

Designing a bioremediator: mechanistic models guide cellular and molecular specialization

scientific article published on 20 October 2019

Efficient Computation of Sparse Matrix Functions for Large-Scale Electronic Structure Calculations: The CheSS Library.

scientific article published on 5 September 2017

Equilibration and analysis of first-principles molecular dynamics simulations of water.

scientific article published in March 2018

Performance and accuracy of recursive subspace bisection for hybrid DFT calculations in inhomogeneous systems.

scientific article published on 29 September 2015

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