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20092024
most citedRNA/peptide binding driven by electrostatics -- Insight from bi-directional pulling simulations

49 citations

Showing cond-mat.str-elShow all

5 papers · 1 filter

cond-mat.str-el2016★ 7 cited

Thermally assisted ordering in Mott insulators

Hunter Sims, Eva Pavarini, Erik Koch

Ginzburg-Landau theory describes phase transitions as the competition between energy and entropy: The ordered phase has lower energy, while the disordered phase has larger entropy.…

cond-mat.str-el2013★ 20 cited

Multiplet effects in orbital and spin ordering phenomena: A hybridization-expansion quantum impurity solver study

Andreas Flesch, Evgeny Gorelov, Erik Koch +1

Orbital and spin ordering phenomena in strongly correlated systems are commonly studied using the local-density approximation + dynamical mean-field theory approach. Typically, how…

cond-mat.str-el2012★ 47 cited

Importance of exchange-anisotropy and superexchange for the spin-state transitions in LnCoO3 (Ln=La,Y,RE) cobaltates

Guoren Zhang, Evgeny Gorelov, Erik Koch +1

Spin-state transitions are the hallmark of rare-earth cobaltates. In order to understand them, it is essential to identify all relevant parameters which shift the energy balance be…

cond-mat.str-el2011★ 27 cited

Orbital-order melting in rare-earth manganites: the role of super-exchange

Andreas Flesch, Guoren Zhang, Erik Koch +1

We study the mechanism of orbital-order melting observed at temperature T_OO in the series of rare-earth manganites. We find that many-body super-exchange yields a transition-tempe…

cond-mat.str-el2010★ 4 cited

Determination of screened Coulomb repulsion energies in organic molecular crystals: A real space approach

Laura Cano-Cortes, Andreas Dolfen, Jaime Merino +1

We present a general method for determining screened Coulomb parameters in molecular assemblies, in particular organic molecular crystals. This allows us to calculate the interacti…