6 citations · 16 across the 6 of their papers we have counts for
6 papers
HypBO: Accelerating Black-Box Scientific Experiments Using Experts' Hypotheses
Abdoulatif Cisse, Xenophon Evangelopoulos, Sam Carruthers +2
Robotics and automation offer massive accelerations for solving intractable, multivariate scientific problems such as materials discovery, but the available search spaces can be da…
SOLIS: Autonomous Solubility Screening using Deep Neural Networks
Gabriella Pizzuto, Jacopo de Berardinis, Louis Longley +2
Accelerating material discovery has tremendous societal and industrial impact, particularly for pharmaceuticals and clean energy production. Many experimental instruments have some…
A complete and continuous map of the Lattice Isometry Space for all 3-dimensional lattices
Matthew Bright, Andrew I Cooper, Vitaliy Kurlin
This paper extends the recently obtained complete and continuous map of the Lattice Isometry Space (LISP) to the practical case of dimension 3. A periodic 3-dimensional lattice is…
Geographic-style maps for 2-dimensional lattices
Matthew Bright, Andrew I Cooper, Vitaliy Kurlin
This paper develops geographic-style maps containing 2D lattices in all known crystals parameterised by recent complete invariants. Motivated by rigid crystal structures, lattices…
Fast predictions of lattice energies by continuous isometry invariants of crystal structures
Jakob Ropers, Marco M Mosca, Olga Anosova +2
Crystal Structure Prediction (CSP) aims to discover solid crystalline materials by optimizing periodic arrangements of atoms, ions or molecules. CSP takes weeks of supercomputer ti…
The asymptotic behaviour and a near linear time algorithm for isometry invariants of periodic sets
Daniel Widdowson, Marco Mosca, Angeles Pulido +2
The fundamental model of a periodic structure is a periodic point set up to rigid motion or isometry. Our recent paper in SoCG 2021 defined isometry invariants (density functions),…