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

2.3k citations

Showing 2020Show all

190 papers · 1 filter

nlin.CD2020★ 9 cited

Hamiltonian chaos and differential geometry of configuration space-time

Loris Di Cairano, Matteo Gori, Giulio Pettini +1

This paper tackles Hamiltonian chaos by means of elementary tools of Riemannian geometry. More precisely, a Hamiltonian flow is identified with a geodesic flow on configuration spa…

q-bio.NC2020

The structure of behavioral data

Aurélien Defossez, Morteza Ansarinia, Brice Clocher +3

For more than a century, scientists have been collecting behavioral data--an increasing fraction of which is now being publicly shared so other researchers can reuse them to replic…

math.NA2020★ 12 cited

A hybrid MGA-MSGD ANN training approach for approximate solution of linear elliptic PDEs

Hamidreza Dehghani, Andreas Zilian

We introduce a hybrid "Modified Genetic Algorithm-Multilevel Stochastic Gradient Descent" (MGA-MSGD) training algorithm that considerably improves accuracy and efficiency of solvin…

cs.SE2020★ 16 cited

IBIR: Bug Report driven Fault Injection

Ahmed Khanfir, Anil Koyuncu, Mike Papadakis +4

Much research on software engineering and software testing relies on experimental studies based on fault injection. Fault injection, however, is not often relevant to emulate real-…

quant-ph2020★ 9 cited

Dissipation-induced antiferromagnetic-like frustration in coupled photonic resonators

Zejian Li, Ariane Soret, Cristiano Ciuti

We propose a photonic quantum simulator for anti-ferromagnetic spin systems based on reservoir engineering. We consider a scheme where quadratically driven dissipative Kerr cavitie…

cond-mat.mtrl-sci2020

Perturbative approach to electrocaloric effects

Mónica Graf, Jorge Íñiguez

We show that the electrocaloric (EC) effect -- e.g., the temperature change experienced by an insulator upon application of an electric bias -- lends itself to a straightforward in…