1 citations · 1 across the 4 of their papers we have counts for
4 papers
pyzentropy: A Python package implementing recursive entropy for first-principles thermodynamics
Nigel Lee En Hew, Luke Allen Myers, Shun-Li Shang +1
While the recursive property of entropy is well known in information theory, it is rarely utilized in thermodynamics, despite entropy originating in this field. Moreover, computati…
Recursive entropy in thermodynamics: the partition function under coarse-graining and the basis of the zentropy approach
Luke Allen Myers, Nigel Lee En Hew, Shun-Li Shang +1
The recursive property of entropy is well known in information theory; however, the concept is underappreciated in thermodynamics, the field in which entropy originated. The zentro…
Density Functional Theory ToolKit (DFTTK) to Automate First-Principles Thermodynamics via the Quasiharmonic Approximation
Nigel Lee En Hew, Luke Allen Myers, Axel van de Walle +2
The Helmholtz energy is a key thermodynamic quantity representing available energy to do work at a constant temperature and volume. Despite a well-established methodology from firs…
Stripe Antiferromagnetic Ground-State Configuration of FeSe Revealed by Density Functional Theory
Luke Myers, Nigel Hew, Shun-Li Shang +1
The magnetic ground-state configuration of iron selenide FeSe has been a topic of debate, with experimental evidence suggesting the stripe spin fluctuations as predominant at low t…