30 citations · 30 across the 2 of their papers we have counts for
3 papers · 1 filter
Unifying Low-Frequency Raman and Infrared Signatures across Perovskites
Ethan Berger, Erik Fransson, Apinya Ngoipala +5
Perovskites have been studied for a wide range of applications, from oxide-based ferroelectrics to halide-perovskite photovoltaics. Despite their diverse functionalities, these mat…
Efficient method for calculation of low-temperature phase boundaries
Lucas Svensson, Babak Sadigh, Christine Wu +1
Understanding phase stability and phase transformations is central to predicting material behavior under varying thermodynamic conditions. One of the earliest and most influential…
Highly efficient path-integral molecular dynamics simulations with GPUMD using neuroevolution potentials: Case studies on thermal properties of materials
Penghua Ying, Wenjiang Zhou, Lucas Svensson +10
Path-integral molecular dynamics (PIMD) simulations are crucial for accurately capturing nuclear quantum effects in materials. However, their computational intensity and reliance o…