Phase transforming electrode materials are among the most promising candidates for the next generation of high energy capacity lithium ion batteries. Phase transformation in electrodes …
There is a high demand for developing a computational platform for global analysis of position- specific sequence variation within HIV-1 subtypes. Undesirable probe designs can …
Pressure-shear plate impact (PSPI) experiments have been performed on a polymer- bonded energetic material simulant and its constituents – a simulant crystal sucrose and an …
High-throughput computational thermodynamic approaches are becoming an increasingly popular tool to uncover novel compounds. However, traditional methods tend to be limited to stability predictions of …
The phase diagram of numerous materials of technological importance features high-symmetry high-temperature phases that exhibit phonon instabilities. Leading examples include shape-memory alloys, as well as …
DNA stores the genetic information of almost all organisms and its integrity and stability are essential to life. Unfortunately, mutations can occur within the genome …
The widespread presence of per- and polyfluoroalkyl substances (PFAS) in the environment and a recognition of their possible health effects has, over the past decade, …
This thesis examines thermodynamic properties for polycyclic aromatic compounds (PACs) and brominated flame retardants (BFRs). Hundreds of thousands of anthropogenic organic chemicals have been produced …
The nematic phase transition in Fe-based superconductors (FeSCs) has been a topic under intensive investigation. So far it is commonly accepted that the structural transition …