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Haoyuan Chen

@chemchen

Assistant Professor of Chemistry @ Southern Methodist University. A computational chemist interested in porous materials.

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04.12.2024
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Latest posts by Haoyuan Chen @chemchen

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A Transferable Force Field for Simulating Adsorption in Metal–Organic Frameworks with Open Metal Sites Based on the 12–6–4 Lennard-Jones Potential Metal–organic frameworks (MOFs) that contain coordinatively unsaturated open metal sites (OMSs) provide strong host–guest interactions, making them promising sorbents for low-concentration gas adsorpt...

Excited to share our new paper as my first post on Bluesky! Open metal sites were always troublesome when simulating gas adsorption in MOFs. By adding just one physics-derived term, we made an accurate and transferable force field that can solve this problem.

pubs.acs.org/doi/10.1021/...

24.01.2026 18:24 👍 4 🔁 0 💬 0 📌 0

I had done several long drives up north when I lived in south TX. The drives were boring, but there was a refinery in Three Rivers (a tiny town south of San Antonio) which impressed me and became my favorite stop along the way. I ended up always going to the convenience store across the street lol

24.12.2025 05:08 👍 2 🔁 0 💬 1 📌 0

Central science!

29.03.2025 03:05 👍 1 🔁 0 💬 0 📌 0

I wonder internally if they use some sigmoid function to make the time continuous...

09.03.2025 18:03 👍 1 🔁 0 💬 0 📌 0

Exactly! My kid is a picky eater and sometimes it's so frustrating--we live in a 25% Asian suburb with so many authentic Chinese restaurants but many times when we get her something new she isn't interested...

By the way, this dish reminds me of Tapas Barcelona in Evanston!

24.02.2025 02:10 👍 1 🔁 0 💬 1 📌 0

Seems like I joined at the perfect time :)

14.02.2025 03:03 👍 2 🔁 0 💬 0 📌 0

Congratulations!!

10.12.2024 06:44 👍 1 🔁 0 💬 1 📌 0

原来Chemjobber会中文!我居然刚知道

04.12.2024 05:11 👍 0 🔁 0 💬 1 📌 0