output
19932026
most citedSchNet - a deep learning architecture for molecules and materials

2.3k citations

Showing 2018Show all

138 papers · 1 filter

cond-mat.stat-mech2018★ 34 cited

Negative differential response in chemical reactions

Gianmaria Falasco, Tommaso Cossetto, Emanuele Penocchio +1

Reaction currents in chemical networks usually increase when increasing their driving affinities. But far from equilibrium the opposite can also happen. We find that such negative…

cs.SE2018★ 22 cited

Impact of Tool Support in Patch Construction

Anil Koyuncu, Tegawendé F. Bissyandé, Dongsun Kim +3

In this work, we investigate the practice of patch construction in the Linux kernel development, focusing on the differences between three patching processes: (1) patches crafted e…

cond-mat.mtrl-sci2018★ 29 cited

Giant Direct and Inverse Electrocaloric Effects in Multiferroic Thin Films

Claudio Cazorla, Jorge Iniguez

Refrigeration systems based on compression of greenhouse gases are environmentally threatening and cannot be scaled down to on-chip dimensions. In the vicinity of a phase transitio…

hep-th2018★ 37 cited

On a -Graded Version of Supersymmetry

Andrew James Bruce

We extend the notion of super-Minkowski space-time to include -graded (Majorana) spinor coordinates. Our choice of the grading leads to spinor coordinates that are…

quant-ph2018★ 2 cited

Revisiting Deniability in Quantum Key Exchange via Covert Communication and Entanglement Distillation

Arash Atashpendar, G. Vamsi Policharla, Peter B. Rønne +1

We revisit the notion of deniability in quantum key exchange (QKE), a topic that remains largely unexplored. In the only work on this subject by Donald Beaver, it is argued that QK…

physics.comp-ph2018★ 249 cited

sGDML: Constructing Accurate and Data Efficient Molecular Force Fields Using Machine Learning

Stefan Chmiela, Huziel E. Sauceda, Igor Poltavsky +2

We present an optimized implementation of the recently proposed symmetric gradient domain machine learning (sGDML) model. The sGDML model is able to faithfully reproduce global pot…