Recent News
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JACS challenge
Posted May 24, 2012 12:52 AM by Giovanni Bussi
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Accepted paper on JCTC
"Metadynamics with adaptive Gaussians" by D. Branduardi, G. Bussi, and M. Parrinello has been accepted on J. Chem. Theory Comput. In this paper we discuss the possibility of using hills with adaptive shape in metadynamics simulations. Preprint on arXiv. |
Posted May 21, 2012 10:47 PM by Giovanni Bussi
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Accepted paper on PRB
"Ab initio complex band structure of conjugated polymers: Effect of hybrid DFT and GW schemes," by A. Ferretti, G. Mallia, L. Martin-Samos, G. Bussi, A. Ruini, B. Montanari, and N. M. Harrison, has been accepted for publication on Phys. Rev. B. In this paper, we present the calculation of the complex band structure for organic polymers using a variety of computational schemes, including standard local, semilocal, and hybrid-exchange density functionals, and many-body perturbation theory within the GW approximation. Preprint on arXiv. |
Posted May 15, 2012 11:29 PM by Giovanni Bussi
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Premio Città Impresa 2012
Posted May 1, 2012 10:11 AM by Giovanni Bussi
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