Wanda Andreoni

Research.com Recognitions

• 2005 - Fellow of American Physical Society (APS) Citation For important contributions to the development and implementation of abinitio computational methods, and for pioneering investigations that led to deep insights into the behavior of diverse condensed matter, chemical, and biomolecular systems

Overview

Best Publications

• Thiols and Disulfides on the Au(111) Surface: The Headgroup−Gold Interaction

  Henrik Grönbeck;and Alessandro Curioni;Wanda Andreoni

  802
  Citations

• The Chemistry of Water on Alumina Surfaces: Reaction Dynamics from First Principles

  Kenneth C. Hass;William F. Schneider;Alessandro Curioni;Wanda Andreoni

  705
  Citations

• Melting of small gold particles: Mechanism and size effects.

  Furio Ercolessi;Wanda Andreoni;Erio Tosatti

  633
  Citations

• N-type organic thin-film transistor with high field-effect mobility based on a N,N′-dialkyl-3,4,9,10-perylene tetracarboxylic diimide derivative

  Patrick R. L. Malenfant;Christos D. Dimitrakopoulos;Jeffrey D. Gelorme;Laura L. Kosbar

  595
  Citations

• Alq3: ab initio calculations of its structural and electronic properties in neutral and charged states

  Alessandro Curioni;Mauro Boero;Wanda Andreoni

  463
  Citations

• Structural and electronic properties of sodium microclusters (n=2–20) at low and high temperatures: New insights from ab initio molecular dynamics studies

  Ursula Röthlisberger;Wanda Andreoni

  435
  Citations

• Equilibrium structures and finite temperature properties of silicon microclusters from ab initio molecular-dynamics calculations.

  Pietro Ballone;Wanda Andreoni;Roberto Car;Michele Parrinello

  409
  Citations

• Structure of nanoscale silicon clusters.

  Ursula Röthlisberger;Wanda Andreoni;Michele Parrinello

  376
  Citations

• Ab initio calculations of the quasiparticle and absorption spectra of clusters: The sodium tetramer.

  Giovanni Onida;Lucia Reining;R. W. Godby;R. Del Sole

  367
  Citations

• Blue Gene: a vision for protein science using a petaflop supercomputer

  F. Allen;G. Almasi;W. Andreoni;D. Beece

  362
  Citations

• First-principles calculations of self-diffusion constants in silicon.

  Peter E. Blöchl;Enrico Smargiassi;Roberto Car;D. B. Laks

  342
  Citations

• First-Principles Molecular Dynamics Simulations of H2O on α-Al2O3 (0001)

  K. C. Hass and;W. F. Schneider;A. Curioni and;W. Andreoni

  281
  Citations

• Structural and Electronic Properties of La@C82

  Kari Laasonen;Wanda Andreoni;Michele Parrinello

  251
  Citations

• Efficient linear scaling geometry optimization and transition-state search for direct wavefunction optimization schemes in density functional theory using a plane-wave basis

  Salomon R Billeter;Alessandro Curioni;Wanda Andreoni

  242
  Citations

• New advances in chemistry and materials science with CPMD and parallel computing

  Wanda Andreoni;Alessandro Curioni

  235
  Citations

• Impurity states in doped fullerenes: C59B and C59N

  Wanda Andreoni;François Gygi;Michele Parrinello

  220
  Citations

• Gold and platinum microclusters and their anions: comparison of structural and electronic properties

  Henrik Grönbeck;Wanda Andreoni

  203
  Citations

• ATOM-RESOLVED ELECTRONIC SPECTRA FOR ALQ3 FROM THEORY AND EXPERIMENT

  A. Curioni;W. Andreoni;R. Treusch;F. J. Himpsel

  202
  Citations

• Key Steps of the cis-Platin-DNA Interaction: Density Functional Theory-Based Molecular Dynamics Simulations

  Paolo Carloni;and Michiel Sprik;Wanda Andreoni

  199
  Citations

• Structural, electronic, and vibrational properties of Si(111)-2 x 1 from ab initio molecular dynamics.

  F. Ancilotto;F. Ancilotto;W. Andreoni;W. Andreoni;Annabella Selloni;Annabella Selloni;Roberto Car;Roberto Car

  196
  Citations