22 citations · 79 across the 10 of their papers we have counts for
10 papers
Intriguing magnetism of the topological kagome magnet TbMn_6Sn_6
C. Mielke, W. Ma, V. Pomjakushin +24
Magnetic topological phases of quantum matter are an emerging frontier in physics and material science. Along these lines, several kagome magnets have appeared as the most promisin…
mudirac: a Dirac equation solver for elemental analysis with muonic X-rays
Simone Sturniolo
We present a new open source software for the integration of the radial Dirac equation developed specifically with muonic atoms in mind. The software, called mudirac, is written in…
Computational Prediction of Muon Stopping Sites: a Novel Take on the Unperturbed Electrostatic Potential Method
Simone Sturniolo, Leandro Liborio
Finding the stopping site of the muon in a muon-spin relaxation experiment is one of the main problems of muon spectroscopy, and computational techniques that make use of quantum c…
A Dyson equation approach for averaging of classical and quantum observables on multiple realizations of Markov processes
Simone Sturniolo
Time dependent signals in experimental techniques such as Nuclear Magnetic Resonance (NMR) and Muon Spin Relaxation (muSR) are often the result of an ensemble average over many mic…
Comparison between Density Functional Theory and Density Functional Tight Binding approaches for finding the muon stopping site in organic molecular crystals
Simone Sturniolo, Leandro Liborio, Samuel Jackson
Finding the possible stopping sites for muons inside a crystalline sample is a key problem of muon spectroscopy. In a previous work, we suggested a computational approach to this p…
The Lorentz sphere visualized
Simone Sturniolo, Jonathan Yates
From the inception of Nuclear Magnetic Resonance as a spectroscopic technique, the local origin of chemical shifts has been a topic of discussion. A useful concept employed to desc…
Computational Prediction of Muon Stopping Sites Using Ab Initio Random Structure Searching (AIRSS)
Leandro Liborio, Simone Sturniolo, Dominik Jochym
The stopping site of the muon in a muon-spin relaxation experiment (μ+SR) is in general unknown. There are some techniques that can be used to guess the muon stopping site, but the…
Computational applications of the Many Interacting Worlds interpretation of quantum mechanics
Simone Sturniolo
While historically many quantum mechanical simulations of molecular dynamics have relied on the Born-Oppenheimer approximation to separate electronic and nuclear behavior, recently…
Quantum operators for the computation of exponential weighted integrals of expectation values
Simone Sturniolo
An analytically derived 'integral operator' approach is introduced to estimate the expectation value of a quantum operator for an evolving state weighted with an exponential functi…
Slow motions detection in polybutadiene through novel analyses of MSE refocusing efficiency and spin-lattice relaxation
Simone Sturniolo, Marco Pieruccini, Maurizio Corti +1
Novel methods to analyze NMR signals dominated by dipolar interaction are applied to the study of slow relaxation motions in polybutadiene approaching its glass transition temperat…