Literature DB >> 10047117

Ab initio molecular dynamics: Analytically continued energy functionals and insights into iterative solutions.

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Abstract

Year:  1992        PMID： 10047117     DOI： 10.1103/PhysRevLett.69.1077

Source DB:  PubMed          Journal:  Phys Rev Lett        ISSN： 0031-9007            Impact factor:   9.161


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  4 in total

1.  Cu metal embedded in oxidized matrix catalyst to promote CO2 activation and CO dimerization for electrochemical reduction of CO2.

Authors:  Hai Xiao; William A Goddard; Tao Cheng; Yuanyue Liu
Journal:  Proc Natl Acad Sci U S A       Date:  2017-06-12       Impact factor: 11.205

2.  JDFTx: software for joint density-functional theory.

Authors:  Ravishankar Sundararaman; Kendra Letchworth-Weaver; Kathleen A Schwarz; Deniz Gunceler; Yalcin Ozhabes; T A Arias
Journal:  SoftwareX       Date:  2017-11-14

3.  High-performance bifunctional porous non-noble metal phosphide catalyst for overall water splitting.

Authors:  Fang Yu; Haiqing Zhou; Yufeng Huang; Jingying Sun; Fan Qin; Jiming Bao; William A Goddard; Shuo Chen; Zhifeng Ren
Journal:  Nat Commun       Date:  2018-06-29       Impact factor: 14.919

4.  Can We Predict the Pressure Induced Phase Transition of Urea? Application of Quantum Molecular Dynamics.

Authors:  Anna Mazurek; Łukasz Szeleszczuk; Dariusz Maciej Pisklak
Journal:  Molecules       Date:  2020-03-30       Impact factor: 4.411
  4 in total

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