Learning to predict polymorphism through simulation of nucleation and nanoparticle evolution. Many substances are capable of exhibiting a myriad of different structures despite having the same composition. This behaviour can have a significant impact on the production of new pharmaceuticals, since the sudden appearance of a new form can lead to instant withdrawal of the drug. By understanding how different forms grow, rather than focusing on just the stability of the product, this research will ....Learning to predict polymorphism through simulation of nucleation and nanoparticle evolution. Many substances are capable of exhibiting a myriad of different structures despite having the same composition. This behaviour can have a significant impact on the production of new pharmaceuticals, since the sudden appearance of a new form can lead to instant withdrawal of the drug. By understanding how different forms grow, rather than focusing on just the stability of the product, this research will lead to more reliable prediction of how pharmaceutical molecules might assemble. The same technology will potentially have impacts in many areas of nanoscience through improvements in efficiency, including the production of minerals, desalination and undersea gas recovery.Read moreRead less
A virtual exploration of iron-sulphur-world in search of the precursors to life on earth. The greenhouse gas, carbon dioxide, that currently presents a threat to the continued existence of humanity, ironically represents the starting point from which life on Earth probably originated. This research will probe the chemistry of how this gas, dissolved in ancient oceans, came to be converted to molecules that form the basis of living organisms through interaction with minerals, such as iron sulphid ....A virtual exploration of iron-sulphur-world in search of the precursors to life on earth. The greenhouse gas, carbon dioxide, that currently presents a threat to the continued existence of humanity, ironically represents the starting point from which life on Earth probably originated. This research will probe the chemistry of how this gas, dissolved in ancient oceans, came to be converted to molecules that form the basis of living organisms through interaction with minerals, such as iron sulphide. Aside from answering a fundamental question, it will offer insights into processes that convert a pollutant into a useful chemical, as well as what might happen if carbon dioxide is placed in mineral deposits for long-term storage.Read moreRead less
Linkage Infrastructure, Equipment And Facilities - Grant ID: LE0346878
Funder
Australian Research Council
Funding Amount
$190,000.00
Summary
GeoWulf: An Inference Engine for Complex Earth Systems. The project is to build a `Beowulf' cluster as a platform for solving
complex data inference problems in the Earth sciences, and in
particular the fields of thermochronology, seismology, crustal and
mantle dynamics, and landform evolution. A Beowulf cluster is a
network-linked set of commonly available `off-the-shelf' PC-computers
configured to give unprecedented performance/cost ratio. Projects
using the Beowulf facility will combine ....GeoWulf: An Inference Engine for Complex Earth Systems. The project is to build a `Beowulf' cluster as a platform for solving
complex data inference problems in the Earth sciences, and in
particular the fields of thermochronology, seismology, crustal and
mantle dynamics, and landform evolution. A Beowulf cluster is a
network-linked set of commonly available `off-the-shelf' PC-computers
configured to give unprecedented performance/cost ratio. Projects
using the Beowulf facility will combine state-of-the-art computational
techniques recently developed at ANU, and high quality data sets
collected over the past decade to address fundamental questions in
the Geosciences.Read moreRead less