Abstract Dynamic Nuclear Polarization Simulation Optimized with a Unified Propagator
(DNPSOUP) is an open-source numerical software program that models spin dynamics for …

This monograph is a fundamental reference for scientists and engineers who encounter spin
processes in their work. The author, Ilya Kuprov, derives the concept of spin from basic …

Nuclear magnetic resonance is arguably both the best available quantum technology for
implementing simple quantum computing experiments and the worst technology for building …

Modern magnetic resonance imaging (MRI) experiments require simultaneous spin and
spatial dynamics treatment. This paper aims to demonstrate the possibility of simulating a …

Solute translocation by membrane transport proteins is a vital biological process that can be
tracked, on the sub‐second timescale, using nuclear magnetic resonance (NMR) …

Response functions of resonant circuits create ringing artefacts if their input changes rapidly.
When physical limits of electromagnetic spectroscopies are explored, this creates two types …

These are personal recollections and musings, written for the 50th Anniversary of the
Journal of Magnetic Resonance. They are distilled from twenty years of writing simulation …

We study how to simulate, efficiently, pulse field gradients (PFG) used in nuclear magnetic
resonance (NMR). An efficient simulation requires discretization in time and space. We study …

Abstract Numerical simulations of Magic Angle Spinning Dynamic Nuclear Polarization
(MAS-DNP) have transformed the way the DNP process is understood in rotating samples …

Computational modeling is becoming an essential tool in magnetic resonance to design and
optimize experiments, test the performance of theoretical models, and interpret experimental …