The energy landscape represents a high‐dimensional mapping of the configurational states
of an atomic system with their respective energies. Under isobaric conditions, enthalpy …

Efficient and accurate reactive force fields (eg, ReaxFF) are pivotal for large-scale atomistic
simulations to comprehend microscopic combustion processes. ReaxFF has been …

Machine learning (ML) is now ubiquitous in all scientific fields, but there remains a
significant challenge to understanding and explaining model performance (Angelov et al …