<?xml version="1.0" encoding="utf-8" standalone="yes"?><rss version="2.0" xmlns:atom="http://www.w3.org/2005/Atom"><channel><title>Computational Chemistry | Zerui "Jerry" Ma's personal website</title><link>https://jerma88.github.io/tags/computational-chemistry/</link><atom:link href="https://jerma88.github.io/tags/computational-chemistry/index.xml" rel="self" type="application/rss+xml"/><description>Computational Chemistry</description><generator>Hugo Blox Builder (https://hugoblox.com)</generator><language>en-us</language><lastBuildDate>Thu, 15 Jan 2026 00:00:00 +0000</lastBuildDate><image><url>https://jerma88.github.io/media/icon_hu_982c5d63a71b2961.png</url><title>Computational Chemistry</title><link>https://jerma88.github.io/tags/computational-chemistry/</link></image><item><title>Efficient sampling of short protein trajectories with conditional diffusion models</title><link>https://jerma88.github.io/publication/26_jctc_protein/</link><pubDate>Thu, 15 Jan 2026 00:00:00 +0000</pubDate><guid>https://jerma88.github.io/publication/26_jctc_protein/</guid><description>&lt;p>Published in the &lt;strong>Journal of Chemical Theory and Computation (ACS)&lt;/strong>, 2026, 22(1), 78.&lt;br>
DOI:
.&lt;/p></description></item><item><title>Paper Published in Journal of Chemical Theory and Computation (ACS)</title><link>https://jerma88.github.io/post/26_jctc/</link><pubDate>Thu, 15 Jan 2026 00:00:00 +0000</pubDate><guid>https://jerma88.github.io/post/26_jctc/</guid><description>&lt;p>Our collaborative research paper,
, has been published in the &lt;strong>Journal of Chemical Theory and Computation (ACS)&lt;/strong>, Vol. 22, Iss. 1 (2026).&lt;/p>
&lt;p>Co-authored with Chen Xiong, Praveen Kandhan, Dong Chen, Eric D. Smith, and Dr. Peng Tao. Check out the open-source implementation in our
repository.&lt;/p></description></item></channel></rss>