I’m grateful to be selected as a 2025-2026 recipient of the John A. Maguire Graduate Fellowship in Chemistry at Southern Methodist University. This award recognizes graduate students who have demon...

I’ll be attending SETCA 2025 in Memphis from May 8-10. This is an annual meeting of all theoretical chemists from across the southeastern region in the US. My PI, Dr. Devin Matthews, will be giving...

Yesterday, I attended the ACS DFW Meeting-in-Miniature, and I’m honored to share that I was awarded First Place in the Physical Chemistry division for my oral presentation. My talk focused on in...

I’m excited to share that I’ll be attending the ACS DFW MiM 2025, taking place on April 26 at Texas A&M University, Commerce, TX. The conference is held each spring by the ACS DFW local section...

Roothaan-Hall equation The application of quantum mechanics in computational chemistry is represented by solving the Schrödinger equation, which leads to the determination of wavefunctions and eig...

In chemistry, orbitals are often visualized as isosurfaces, which are surfaces of constant value representing the probability density of finding an electron. Since this concept commonly appears in ...

In the previous post, we numerically solved the Schrodinger equation for the hydrogen atom. Using a finite difference method implemented in Python, we are able to calculate the radial wavefunction ...

One of the most exciting aspects of quantum chemistry lies in solving the wavefunction of the hydrogen atom. Because it is the only system for which an exact analytical solution exists for both the...

Hello, my name is Duc Anh Lai, and I am currently a PhD candidate in Dr. Devin Matthews’ lab. Lately, I’ve found myself with some free time, and I’ve noticed my enthusiam and motivation waning. To ...