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19922026
most citedFast and Accurate Modeling of Molecular Atomization Energies with Machine Learning

2.4k citations

researchers with a paper here

Counting papers with at most 25 authors, so collaboration author lists do not stand in for the people here.

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Showing 2014 · cond-mat.mes-hallShow all

4 papers · 2 filters

cond-mat.mes-hall2014★ 158 cited

Optimized Effective Potential for Quantum Electrodynamical Time-Dependent Density Functional Theory

Camilla Pellegrini, Johannes Flick, Ilya V. Tokatly +2

We propose a practical approximation to the exchange-correlation functional of (time-dependent) density functional theory for many-electron systems coupled to photons. The (time no…

cond-mat.mes-hall2014★ 144 cited

Protection of excited spin states by a superconducting energy gap

B. W. Heinrich, L. Braun, J. I. Pascual +1

The latest concepts for quantum computing and data storage envision to address and manipulate single spins. A limitation for single atoms or molecules in contact to a metal surface…

cond-mat.mes-hall2014★ 109 cited

Femtosecond electrons probing currents and atomic structure in nanomaterials

Melanie Müller, Alexander Paarmann, Ralph Ernstorfer

The investigation of ultrafast electronic and structural dynamics in low-dimensional systems like nanowires and two-dimensional materials requires femtosecond probes providing high…

cond-mat.mes-hall2014★ 35 cited

Correlated Electron-Nuclear Dynamics with Conditional Wave Functions

Guillermo Albareda, Heiko Appel, Ignacio Franco +2

The molecular Schrödinger equation is rewritten in terms of non-unitary equations of motion for the nuclei (or electrons) that depend parametrically on the configuration of an ense…