Equation of State of Fluid Methane from First Principles with Machine Learning Potentials
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Mensi S, Naud R, Pozzorini C, Avermann M, Petersen CCH, Gerstner W. Parameter extraction and classification of three cortical neuron types reveals two distinct adaptation mechanisms. J Neurophysiol 107: 1756-1775, 2012. First published December 7, 2011; do ...
The structure and properties of vacancy loops (VIs) and stacking-fault tetrahedra (SFTs) in copper have been studied by computer simulation using a long-range pair interatomic potential (LRPP), obtained from the generalized pseudopotential theory, and a ma ...
We consider quenched and annealed Lyapunov exponents for the Green's function of -Delta + gamma V, where the potentials V(x) ,x epsilon Z(d), are i.i.d. nonnegative random variables and gamma > 0 is a scalar. We present a probabilistic proof that both Lyap ...
Feedback error-related potentials are a promising brain process in the field of rehabilitation since they are related to human learning. Due to the fact that many therapeutic strategies rely on the presentation of feedback stimuli, potentials generated by ...
The core structures of screw and edge dislocations on the basal and prism planes in Mg, and the associated gamma surfaces, were studied using an ab initio method and the embedded-atom-method interatomic potentials developed by Sun et al and Liu et al. The ...
Ab initio electronic structure methods have reached a satisfactory accuracy for the calculation of static properties, but remain too expensive for quantum dynamical calculations. Recently, an efficient semiclassical method was proposed to evaluate the accu ...
We present a study of the kinetics of electron injection in ruthenium(II) cis-(2,2‘-bipyridyl-4,4‘-dicarboxylate)2(NCS)2-sensitized nanocrystalline TiO2 films as a function of electrical potential applied to the TiO2 film and as a function of the compositi ...
Molecular dynamics simulations of collision cascades in pure tungsten are performed to assess the primary damage due to irradiation. For short-range interaction the universal potential is used [1], while for long-range interaction, three different embedded ...
In: OFEN (ed.): Potentiale zur energetischen Nutzung von Biomasse in der Schweiz. Office Fédéral de l'Energie (OFEN) / Bundesamt für Energie (BFE), Berne. ...
Molecular dynamics simulations of collision cascades in pure tungsten are performed to assess the primary damage due to irradiation. For short-range interaction the universal potential is used [J.F. Ziegler, J.P. Biersack, U. Littmark, The Stopping and Ran ...