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Chemistry In Silico

Person standing in a room giving a lecture with a Periodic Table of Elements on the wall.

Person leaned up against a podium in the middle of a lecture. A Periodic Table hangs on the wall.Dr. Jason Martin presented “Chemistry in Silico: Applications of Computer Modeling to Cyanoscorpionate Ligands,” as part of the guest speaker series for the American Chemical Society at NPC. Dr. Martin holds a Bachelor of Science in Chemistry with a double minor in Math and Physics, as well as a Ph.D. in Physical Chemistry.

Students, faculty, and staff attended the lecture Friday, September 15. Martin’s presentation explained how computers were being used to do computations in chemistry, particularly how he used his Linux workstation to study four compounds his colleague, Dr. Lava Kadel, asked him to study.

When Martin was asked why chemists do this kind of study he stated, “Whenever you are doing a computational study, you are usually trying to give additional evidence to say yes, their geometry or their structure is correct. We verify experimentally and also theoretically, so that's primarily what you're doing when you're doing a computational study.”

Martin shared with the audience the specifications of his workstation, which included 128 gigabytes of random-access memory (RAM). Afterward, he was asked if that size of memory was normal for this type of computer. Martin replied, “For workstations like this, that’s pretty normal because you typically don't store a whole lot of big data on the hard drive, but it does need a lot of random-access memory as it's doing the computation.”

Martin said this topic was challenging to present due to the diverse levels of understanding in the audience, but he also said it was satisfying because he wants NPC students to know that the faculty here are actively engaged in research projects and like to get students involved whenever and wherever they can.

Martin explained how students tend to develop understanding when they get involved in real-life projects. He hopes to publish a paper on this study in the future.