Alireza L.

I’m a passionate Ph.D. student in Theoretical Chemistry at Kyungpook National University with expertise in quantum mechanics, programming (Fortran, Python, C/C++), and computational chemistry. My research focuses on developing new quantum methods, optimizing functional parameters, and studying excited-state systems such as inverted S1-T1 gaps in heptazine-like molecules. ?️ Skills: Programming: Python, Fortran, C/C++ Software Development: GUI design, Docker containerization, Flask APIs Data Analysis: Optimization algorithms, energy gap calculations, molecular orbital visualizations Computational Chemistry: MRSF/DTCAM-STG, TDDFT, EOM-CCSD, ADC(2), CASPT2(12,12) Visualization: Molecule geometry editors, 3Dmol.js integration Research Tools: GAMESS, OpenQP (self-developed quantum chemistry package) ? Services I Offer: Scientific Programming: Custom scripts and tools for molecular simulations and calculations Molecule Visualization Tools: GUI applications for geometry editing, visualization, and optimization Data Analysis & Optimization: Automated workflows for parameter tuning and result extraction Technical Writing: Research papers, documentation, and detailed scientific reports English Practice Sessions: Structured English speaking practice with a focus on daily topics and grammar ? Passion Projects: Developing an OpenQP web-based GUI for simplified user interaction Building intuitive Python-based molecule visualizers Studying DSP effects on excited-state molecular systems ? Why Work With Me? Deep expertise in theoretical and computational chemistry Strong programming background with automation and modular designs Commitment to clear communication and high-quality outputs Enthusiasm for continuous learning and innovative solutions ? Languages: English (Intermediate, improving daily) Persian (Native) Let’s collaborate and bring your scientific and technical ideas to life! ? ? Feel free to contact me to discuss your project!