News & Events
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The MolSSI AI-Assisted Development Best Practices Workshop Returns in October
Due to strong interest in our earlier offering, MolSSI is hosting the AI-Assisted Development Best Practices Workshop again this October. The workshop is held entirely online. You only need a computer with a stable internet connection. Date and Time: October 15th and October 16th. from 2-5 pm ET each day. Registration: Sign up here The rapid development of LLMs…
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The MolSSI AI-Assisted Development Best Practices Workshop
Date and Time: July 27th and July 28th. from 1-5 pm ET each day. Registration: Sign up here The rapid development of LLMs has dramatically transformed the nature of software development work, allowing researchers and software engineers to produce sometimes genuinely high-quality code at an extraordinary rate. It has also introduced a new set of…
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Meet Shehan Parmar: Building the Infrastructure for Ionic Liquid Discovery
Shehan Parmar, a Ph.D. candidate in chemistry at Georgia Tech and a 2025–26 MolSSI Software Fellow, builds simulation and software infrastructure for ionic liquid discovery, a class of liquids whose tunable chemistry makes them candidates for spacecraft propellants, battery electrolytes, and energy-efficient desalination. Under the guidance of Prof. Jesse McDaniel, with prior support from the DOE Computational…
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Meet Ms. Trine K. Quady: A Rising Star in Theoretical Chemistry
From a young age, Ms. Trine K. Quady has been intrigued by the world of chemistry. Her fascination began at just eight years old, when she blew out a candle and was mesmerized by the wispy tendrils of smoke swirling through the air. Curious about the behavior of particles, she asked her big sister if…
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Reimagining Enzymatic Catalysis Simulation in the Age of AI
Weiliang Luo’s interest in molecular science started early, sparked by a periodic table tucked into the back of a dictionary. What began as curiosity—wondering how matter is arranged and transformed—quickly deepened through hands-on exposure to simple experiments and vivid chemical reactions that felt almost magical. Today, that curiosity drives his research at MIT, where he…
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ACT-CMS Opens 2026 Faculty Fellowship Applications
The Accelerating Curricular Transformation in the Computational Molecular Sciences (ACT-CMS) program is pleased to announce that the 2026 round of Faculty Fellowship applications is now open. ACT-CMS is an education and faculty development program from MolSSI. The goal of ACT-CMS is to transform science curricula by accelerating the integration of programming and computation into existing molecular…
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MolSSI Launches New Udemy Course: C++ Project Management with CMake, CPack, and Beyond
The Molecular Sciences Software Institute (MolSSI) is proud to announce the release of a new Udemy course: C++ Project Management: CMake, CPack, and Beyond, created by MolSSI Software Scientist Taylor Barnes. Becoming an expert C++ software engineer requires much more than writing code. Successful developers also need to navigate the complex world of compilers, build systems, package…
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Learn Quantum Chemistry Simulation with MolSSI’s New Credentialed Online Course
Are you an early-career graduate student or researcher new to quantum chemistry and looking to expand your skillset? Have you ever attended a MolSSI training and wished you had a credential to show off on your professional profiles? We have good news for you! The Molecular Sciences Software Institute (MolSSI) has launched its first self-paced…