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<!DOCTYPE html>
<html lang="en">
<head>
<meta charset="UTF-8">
<meta http-equiv="X-UA-Compatible" content="IE=edge">
<meta name="viewport" content="width=device-width, initial-scale=1.0">
<title>Adrian Mirza - Personal Portfolio</title>
<!--
- favicon
-->
<link rel="shortcut icon" href="./assets/images/logo.ico" type="image/x-icon">
<!--
- custom css link
-->
<link rel="stylesheet" href="./assets/css/style.css">
<!--
- google font link
-->
<link rel="preconnect" href="https://fonts.googleapis.com">
<link rel="preconnect" href="https://fonts.gstatic.com" crossorigin>
<link href="https://fonts.googleapis.com/css2?family=Poppins:wght@300;400;500;600&display=swap" rel="stylesheet">
</head>
<body>
<!--
- #MAIN
-->
<main>
<!--
- #SIDEBAR
-->
<aside class="sidebar" data-sidebar>
<div class="sidebar-info">
<figure class="avatar-box">
<img src="./assets/images/cropped_cv_11zon.jpg" alt="Adrian Mirza" width="80">
</figure>
<div class="info-content">
<h1 class="name" title="Adrian Mirza">Adrian Mirza</h1>
<p class="title">PhD Researcher in Digital Chemistry</p>
</div>
<a href="cv.pdf" download="AdrianMirza_CV.pdf" class="form-btn" style="margin: 0px auto; padding: 7px 7px; text-decoration: none; display: flex; align-items: center; justify-content: center; max-width: 300px; white-space: nowrap;">
<ion-icon name="cloud-download-outline"></ion-icon>
<span style="margin-left: 8px;">Download CV</span>
</a>
<button class="info_more-btn" data-sidebar-btn>
<span>Show Contacts</span>
<ion-icon name="chevron-down"></ion-icon>
</button>
</div>
<div class="sidebar-info_more">
<div class="separator"></div>
<ul class="contacts-list">
<li class="contact-item">
<div class="icon-box">
<ion-icon name="mail-outline"></ion-icon>
</div>
<div class="contact-info">
<p class="contact-title">Email</p>
<a href="mailto:mail@adrianmirza.com" class="contact-link">mail@adrianmirza.com</a>
</div>
</li>
<!-- <li class="contact-item">
<div class="icon-box">
<ion-icon name="globe-outline"></ion-icon>
</div>
<div class="contact-info">
<p class="contact-title">Website</p>
<a href="https://adrianmirza.com" class="contact-link">adrianmirza.com</a>
</div>
</li> -->
<li class="contact-item" style="display: none;">
<div class="icon-box">
<ion-icon name="location-outline"></ion-icon>
</div>
<div class="contact-info">
<p class="contact-title">Location</p>
<address>Jena, Germany</address>
</div>
</li>
</ul>
<div class="separator"></div>
<ul class="social-list">
<li class="social-item">
<a href="https://github.com/AdrianM0" class="social-link" target="_blank">
<ion-icon name="logo-github" style="font-size: 24px;"></ion-icon>
</a>
</li>
<li class="social-item">
<a href="https://www.linkedin.com/in/adrian-mirza-chem/" class="social-link" target="_blank">
<ion-icon name="logo-linkedin" style="font-size: 24px;"></ion-icon>
</a>
</li>
<li class="social-item">
<a href="https://scholar.google.com/citations?user=yKF9PgMAAAAJ&hl=en" class="social-link" target="_blank">
<ion-icon name="school-outline" style="font-size: 24px;"></ion-icon>
</a>
</li>
</ul>
</div>
</aside>
<!--
- #main-content
-->
<div class="main-content">
<!--
- #NAVBAR
-->
<nav class="navbar">
<ul class="navbar-list">
<li class="navbar-item">
<button class="navbar-link active" data-nav-link>About</button>
</li>
<li class="navbar-item">
<button class="navbar-link" data-nav-link>Blog</button>
</li>
</ul>
</nav>
<!--
- #ABOUT
-->
<article class="about active" data-page="about">
<header>
<h2 class="h2 article-title">About me</h2>
</header>
<section class="about-text">
<p>
PhD researcher with experience in AI for chemical sciences. I have worked on diverse projects—from low-complexity ML applied to homogeneous catalysis, to building models and systems from scratch for molecular chemistry, spectroscopy, and materials science.
</p>
<p>
Additionally, I have experience with molecular simulations and data management from roles at Software for Chemistry and Materials and Stability AI.
</p>
</section>
<!--
- publications
-->
<section class="publications">
<header>
<h2 class="h2 article-title">Selected Publications</h2>
</header>
<section class="projects">
<ul class="project-list">
<li class="project-item active" data-filter-item>
<a href="https://chemrxiv.org/engage/chemrxiv/article-details/674089e6f9980725cf72e7f5" target="_blank">
<figure class="project-img">
<div class="project-item-icon-box">
<ion-icon name="eye-outline"></ion-icon>
</div>
<img src="./assets/images/secs.png" alt="publication placeholder" loading="lazy">
</figure>
<h3 class="project-title">Elucidating structures from spectra using multimodal embeddings and discrete optimization</h3>
<p class="project-category">In: 10.26434/chemrxiv-2024-f3b18-v2 (2024)</p>
</a>
</li>
<li class="project-item active" data-filter-item>
<a href="https://arxiv.org/abs/2507.07456" target="_blank">
<figure class="project-img">
<div class="project-item-icon-box">
<ion-icon name="eye-outline"></ion-icon>
</div>
<img src="./assets/images/GPM.png" alt="publication placeholder" loading="lazy">
</figure>
<h3 class="project-title">General purpose models for the chemical sciences</h3>
<p class="project-category">In: arXiv preprint arXiv: 2507.07456 (2025)</p>
</a>
</li>
<li class="project-item active" data-filter-item>
<a href="https://www.nature.com/articles/s41557-025-01815-x" target="_blank">
<figure class="project-img">
<div class="project-item-icon-box">
<ion-icon name="eye-outline"></ion-icon>
</div>
<img src="./assets/images/human_subset_performance.png" alt="publication placeholder" loading="lazy">
</figure>
<h3 class="project-title">A framework for evaluating the chemical knowledge and reasoning abilities of large language models</h3>
<p class="project-category">In: Nature Chemistry (2025)</p>
</a>
</li>
<li class="project-item active" data-filter-item>
<a href="https://neurips.cc/virtual/2025/poster/121490" target="_blank">
<figure class="project-img">
<div class="project-item-icon-box">
<ion-icon name="eye-outline"></ion-icon>
</div>
<img src="./assets/images/chempile.png" alt="publication placeholder" loading="lazy">
</figure>
<h3 class="project-title">ChemPile: A 250GB Diverse and Curated Dataset for Chemical Foundation Models</h3>
<p class="project-category">In: Advances in Neural Information Processing Systems 39 (2025)</p>
</a>
</li>
<li class="project-item active" data-filter-item>
<a href="https://chemistry-europe.onlinelibrary.wiley.com/doi/full/10.1002/cplu.202300702" target="_blank">
<figure class="project-img">
<div class="project-item-icon-box">
<ion-icon name="eye-outline"></ion-icon>
</div>
<img src="./assets/images/cplu202300702-toc-0001-m.jpg" alt="publication placeholder" loading="lazy">
</figure>
<h3 class="project-title">Paving the road towards automated homogeneous catalyst design</h3>
<p class="project-category">In: ChemPlusChem (Cover Feature) </p>
</a>
</li>
</ul>
</section>
</section>
<!--
- resume
-->
<section class="resume">
<header>
<div style="display: flex; justify-content: space-between; align-items: center;">
<h2 class="h2 article-title">Resume</h2>
</div>
</header>
<section class="timeline">
<div class="title-wrapper">
<div class="icon-box">
<ion-icon name="book-outline"></ion-icon>
</div>
<h3 class="h3">Education</h3>
</div>
<ol class="timeline-list">
<li class="timeline-item">
<h4 class="h4 timeline-item-title">PhD in Digital Chemistry, Helmholtz Zentrum Berlin</h4>
<span>2023 — Present</span>
<p class="timeline-text">
Advisor: Kevin Jablonka
</p>
</li>
<li class="timeline-item">
<h4 class="h4 timeline-item-title">MSc Chemical Engineering, Delft University of Technology</h4>
<span>2021 — 2023</span>
<p class="timeline-text">
Advisor: Evgeny Pidko
</p>
</li>
<li class="timeline-item">
<h4 class="h4 timeline-item-title">BSc Chemical Engineering & Biotechnology, Aalborg University</h4>
<span>2018 — 2021</span>
<p class="timeline-text">
Advisor: Marco Maschietti
</p>
</li>
</ol>
</section>
<section class="timeline">
<div class="title-wrapper">
<div class="icon-box">
<ion-icon name="briefcase-outline"></ion-icon>
</div>
<h3 class="h3">Experience</h3>
</div>
<ol class="timeline-list">
<li class="timeline-item">
<h4 class="h4 timeline-item-title">Data Research Engineer - Part Time, Stability AI</h4>
<span>August 2023 — July 2024</span>
<p class="timeline-text">
Contributed to Open Science and ChemNLP by collecting and curating chemistry datasets and performing data research.
</p>
</li>
<li class="timeline-item">
<h4 class="h4 timeline-item-title">Intern in Computational Chemistry and Software Engineering, Software for Chemistry and Materials</h4>
<span>April 2023 — July 2023</span>
<p class="timeline-text">
Conducted literature reviews, applied graph theory to chemical problems, and benchmarked internal conformer generation tools.
</p>
</li>
<li class="timeline-item">
<h4 class="h4 timeline-item-title">Teaching Assistant – Part Time, Delft University of Technology</h4>
<span>April 2023 — July 2023</span>
<p class="timeline-text">
Restructured a Master-level course on computational, numerical, and data science methods for 140 graduate students.
</p>
</li>
<li class="timeline-item">
<h4 class="h4 timeline-item-title">Teaching Assistant – Part Time, TotalEnergies</h4>
<span>April 2023 — July 2023</span>
<p class="timeline-text">
Analyzed and cleaned employee data, built a Microsoft Office pipeline for data streamlining, and provided IT/HR support.
</p>
</li>
</ol>
</section>
</section>
</article>
<!--
- #BLOG
-->
<article class="blog" data-page="blog">
<header>
<h2 class="h2 article-title">Blog</h2>
</header>
<section class="blog-text">
<p>
Coming soon...
</p>
</section>
</article>
</div>
</main>
<!--
- custom js link
-->
<script src="./assets/js/script.js"></script>
<!--
- ionicon link
-->
<script type="module" src="https://unpkg.com/ionicons@5.5.2/dist/ionicons/ionicons.esm.js"></script>
<script nomodule src="https://unpkg.com/ionicons@5.5.2/dist/ionicons/ionicons.js"></script>
</body>
</html>