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20192026
most citedMachine Learning Inter-Atomic Potentials Generation Driven by Active Learning: A Case Study for Amorphous and Liquid Hafnium dioxide

189 citations

Showing 2020Show all

6 papers · 1 filter

eess.IV2020★ 21 cited

Convolutional Neural Networks for cytoarchitectonic brain mapping at large scale

Christian Schiffer, Hannah Spitzer, Kai Kiwitz +6

Human brain atlases provide spatial reference systems for data characterizing brain organization at different levels, coming from different brains. Cytoarchitecture is a basic prin…

cond-mat.soft2020★ 13 cited

Polymer electrolytes in strong external electric fields: Modification of structure and dynamics

Alina Wettstein, Diddo Diddens, Andreas Heuer

We present the results from an extensive atomistic molecular dynamics simulation study of poly(ethylene oxide) (PEO) doped with various amounts of lithium-bis(trifluoromethane)sulf…

cond-mat.soft2020★ 14 cited

Impact of Charged Surfaces on the Structure and Dynamics of Polymer Electrolytes: Insights from Atomistic Simulations

Andreas Thum, Diddo Diddens, Andreas Heuer

Polymer electrolytes are intensely investigated for use as solid electrolytes in next generation lithium-ion and lithium-metal batteries. However, little is known about the structu…

cond-mat.soft2020

Understanding the Lithium Ion Transport in Concentrated Block-Copolymer Electrolytes on a Microscopic Level

Len Kimms, Diddo Diddens, Andreas Heuer

Block-copolymer electrolytes with lamellar microstructure show promising results regarding the ion transport in experiments. Motivated by these observations we study block-copolyme…

cond-mat.mtrl-sci2020★ 55 cited

An Experimentally Driven Automated Machine Learned lnter-Atomic Potential for a Refractory Oxide

Ganesh Sivaraman, Leighanne Gallington, Anand Narayanan Krishnamoorthy +4

Understanding the structure and properties of refractory oxides are critical for high temperature applications. In this work, a combined experimental and simulation approach uses a…

q-bio.NC2020★ 33 cited

Bringing Anatomical Information into Neuronal Network Models

Sacha Jennifer van Albada, Aitor Morales-Gregorio, Timo Dickscheid +6

For constructing neuronal network models computational neuroscientists have access to wide-ranging anatomical data that nevertheless tend to cover only a fraction of the parameters…