dacastillo.github.io/pt.html at master · Dacastillo/dacastillo.github.io · GitHub

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<title>Daniel Castillo Castro — Físico Computacional</title>
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      <li><a href="man.html">Manifesto</a></li>
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  <!-- Hero Section -->
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    <div class="hero-text">
      <h1>Daniel Castillo Castro</h1>
      <p class="hero-title">Doutor em Física · Pesquisador em Nanomateriais Computacionais</p>
      <p class="hero-bio">
        Trabalho na modelagem multiescala de materiais 2D na interseção entre
        simulação computacional, potenciais interatômicos baseados em ML e
        computação quântica aplicada à química molecular. Membro do grupo Moleqlas
        (QuDIT, PUC Chile).
      </p>

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        <a href="https://orcid.org/0000-0002-9556-4831"
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    <h2>Projetos em Destaque</h2>
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      <article class="project-card">
        <div class="project-header">
          <h3 class="project-title">
            <a href="https://github.com/Dacastillo/r" target="_blank" rel="noopener noreferrer">r</a>
          </h3>
          <span class="project-year">2024–2026</span>
        </div>
        <p class="project-description">
          Pesquisa computacional em DFT, LAMMPS e dinâmica molecular de materiais 2D e heteroestruturas.
        </p>
        <div class="project-stack">
          <code>Python</code>
          <code>LAMMPS</code>
          <code>DFT</code>
        </div>
      </article>

      <article class="project-card">
        <div class="project-header">
          <h3 class="project-title">
            <a href="https://github.com/Dacastillo/Moleqlas---group-repo" target="_blank" rel="noopener noreferrer">Moleqlas</a>
          </h3>
          <span class="project-year">2024–2026</span>
        </div>
        <p class="project-description">
          Computação quântica aplicada à química molecular. Simulações quânticas para sistemas moleculares (QuDIT, PUC Chile).
        </p>
        <div class="project-stack">
          <code>Qiskit</code>
          <code>Python</code>
          <code>VQE</code>
        </div>
      </article>

      <article class="project-card">
        <div class="project-header">
          <h3 class="project-title">
            <a href="https://github.com/Dacastillo/QQuipu3" target="_blank" rel="noopener noreferrer">QQuipu3</a>
          </h3>
          <span class="project-year">2024</span>
        </div>
        <p class="project-description">
          Simulação de estados térmicos/Gibbs com circuitos quânticos. Preparação do estado ρ<sub>β</sub> = e<sup>−βH</sup>/Z.
        </p>
        <div class="project-stack">
          <code>Qiskit</code>
          <code>Python</code>
        </div>
      </article>

      <article class="project-card">
        <div class="project-header">
          <h3 class="project-title">
            <a href="https://github.com/Dacastillo/Shore-Test" target="_blank" rel="noopener noreferrer">Shore-Test</a>
          </h3>
          <span class="project-year">2023</span>
        </div>
        <p class="project-description">
          CoastSat aplicado a costas chilenas: Landsat/Sentinel-2 + Google Earth Engine para rastreamento de linha de costa.
        </p>
        <div class="project-stack">
          <code>Python</code>
          <code>GEE</code>
          <code>Sentinel-2</code>
        </div>
      </article>

      <article class="project-card">
        <div class="project-header">
          <h3 class="project-title">
            <a href="https://github.com/Dacastillo/PDE-Test" target="_blank" rel="noopener noreferrer">PDE-Test</a>
          </h3>
          <span class="project-year">2023</span>
        </div>
        <p class="project-description">
          Resolução de EDPs com elementos finitos em geometrias 3D definidas por STL.
        </p>
        <div class="project-stack">
          <code>Python</code>
          <code>FEM</code>
        </div>
      </article>

      <article class="project-card">
        <div class="project-header">
          <h3 class="project-title">
            <a href="https://github.com/Dacastillo/LAMMPS-tutorial" target="_blank" rel="noopener noreferrer">LAMMPS Tutorial</a>
          </h3>
          <span class="project-year">2025</span>
        </div>
        <p class="project-description">
          Tutorial de LAMMPS apresentado no LAMMPS Workshop. Guia prático para simulação de dinâmica molecular.
        </p>
        <div class="project-stack">
          <code>LAMMPS</code>
          <code>Shell</code>
        </div>
      </article>

    </div>
    <p class="mt-lg">
      <a href="pro.html">Ver todos os projetos →</a>
    </p>
  </section>

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  <section>
    <h2>Áreas de Expertise</h2>
    <div class="project-grid">
      <article class="project-card">
        <h3 class="project-title">Simulação Computacional</h3>
        <p class="project-description">
          Dinâmica molecular com LAMMPS, DFT com GPAW/Quantum ESPRESSO/ORCA, modelagem multiescala de materiais 2D.
        </p>
        <div class="project-stack">
          <code>LAMMPS</code>
          <code>GPAW</code>
          <code>QE</code>
          <code>ORCA</code>
        </div>
      </article>

      <article class="project-card">
        <h3 class="project-title">Machine Learning</h3>
        <p class="project-description">
          Potenciais interatômicos baseados em ML (MLIP, Behler-Parrinello), aprendizado ativo, AMP.
        </p>
        <div class="project-stack">
          <code>PyTorch</code>
          <code>AMP</code>
          <code>scikit-learn</code>
        </div>
      </article>

      <article class="project-card">
        <h3 class="project-title">Computação Quântica</h3>
        <p class="project-description">
          VQE, ansätze compactos, estados de Gibbs, química quântica em Qiskit.
        </p>
        <div class="project-stack">
          <code>Qiskit</code>
          <code>VQE</code>
          <code>Python</code>
        </div>
      </article>

      <article class="project-card">
        <h3 class="project-title">Análise Bibliométrica</h3>
        <p class="project-description">
          Sistema em R para análise de literatura científica com OpenAlex, Semantic Scholar, CrossRef.
        </p>
        <div class="project-stack">
          <code>R</code>
          <code>openalexR</code>
          <code>bibliometrix</code>
        </div>
      </article>
    </div>
  </section>

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