Literature DB >> 23254934

Computational materials science: Trustworthy predictions.

Paul R C Kent.   

Abstract

Year:  2012        PMID: 23254934     DOI: 10.1038/nature11767

Source DB:  PubMed          Journal:  Nature        ISSN: 0028-0836            Impact factor:   49.962


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  7 in total

1.  Inhomogeneous backflow transformations in quantum Monte Carlo calculations.

Authors:  P López Ríos; A Ma; N D Drummond; M D Towler; R J Needs
Journal:  Phys Rev E Stat Nonlin Soft Matter Phys       Date:  2006-12-19

2.  Insights into current limitations of density functional theory.

Authors:  Aron J Cohen; Paula Mori-Sánchez; Weitao Yang
Journal:  Science       Date:  2008-08-08       Impact factor: 47.728

3.  Fermion Monte Carlo without fixed nodes: a game of life, death, and annihilation in Slater determinant space.

Authors:  George H Booth; Alex J W Thom; Ali Alavi
Journal:  J Chem Phys       Date:  2009-08-07       Impact factor: 3.488

4.  Aluminium at terapascal pressures.

Authors:  Chris J Pickard; R J Needs
Journal:  Nat Mater       Date:  2010-07-11       Impact factor: 43.841

5.  Communication: Excited states, dynamic correlation functions and spectral properties from full configuration interaction quantum Monte Carlo.

Authors:  George H Booth; Garnet Kin-Lic Chan
Journal:  J Chem Phys       Date:  2012-11-21       Impact factor: 3.488

6.  Towards an exact description of electronic wavefunctions in real solids.

Authors:  George H Booth; Andreas Grüneis; Georg Kresse; Ali Alavi
Journal:  Nature       Date:  2012-12-19       Impact factor: 49.962

7.  Highly compressed ammonia forms an ionic crystal.

Authors:  Chris J Pickard; R J Needs
Journal:  Nat Mater       Date:  2008-08-24       Impact factor: 43.841

  7 in total

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