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    <loc>https://whsunresearch.group/targeted-synthesis</loc>
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    <lastmod>2025-11-16</lastmod>
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      <image:title>Home - Targeted Synthesis</image:title>
      <image:caption>DFT is often used to predict novel materials with exciting properties. However, even when DFT can predict what compounds to make, how do we synthesize these newly predicted materials in a lab? Developing a predictive theory of materials synthesis requires a better understanding of metastable phases—which often appear as kinetic byproducts during materials formation. We derive theoretical frameworks to predict non-equilibrium crystallization pathways, helping chemists to navigate through the thermodynamic and kinetic energy landscape towards the synthesis of novel target materials.</image:caption>
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      <image:title>Home - Exploratory Synthesis</image:title>
      <image:caption>In the modern age of data science, there is more catalogued and query-able materials data than ever before. We employ high-throughput computational materials discovery techniques to survey uncharted chemical spaces for novel synthesizable materials, constructing large stability maps to help guide exploratory synthesis. Using data-mining and machine-learning algorithms, we aim to explain the complex interplay between chemistry, composition, and electronic structure in governing large-scale stability trends across broad materials spaces.</image:caption>
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      <image:title>Home - Nucleation and Growth</image:title>
      <image:caption>Crystallization from a supersaturated solution frequently proceeds through a series of transient, metastable phases prior to the formation of the lowest-energy, stable polymorph. This phenomenon, popularly referred to as “Ostwald’s Rule of Stages”, occurs in all classes of materials, from inorganic minerals and functional technological materials to organic crystals and biological protein crystals. Despite there being a lower thermodynamic driving force for the formation of a metastable polymorph, a metastable phase can still dominate the kinetics of crystallization if it has a lower nucleation barrier than the equilibrium phase. Our group aims to unify classical thermodynamics, nucleation, diffusion, and crystal growth theories to predict the Temperature-Time-Transformation (TTT) transformation pathways for compounds during materials synthesis.</image:caption>
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    <loc>https://whsunresearch.group/nucleation</loc>
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      <image:title>Nucleation - Make it stand out</image:title>
      <image:caption>Whatever it is, the way you tell your story online can make all the difference.</image:caption>
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      <image:title>Nucleation - Make it stand out</image:title>
      <image:caption>Whatever it is, the way you tell your story online can make all the difference.</image:caption>
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  <url>
    <loc>https://whsunresearch.group/exploratory-synthesis</loc>
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    <lastmod>2022-01-21</lastmod>
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      <image:title>Exploratory Synthesis - Make it stand out</image:title>
      <image:caption>Whatever it is, the way you tell your story online can make all the difference.</image:caption>
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