About Me
I am Danjo De Chavez and I am an early career researcher on computational and theoretical chemistry.
Education
2018-2021
PhD Chemical Sciences and Engineering
Hokkaido University
After finishing my Master's at the same university, the Japanese government awarded me the Monbukagakusho Scholarship for my PhD studies and decided to accept it. I continued my research in computational chemistry focusing on mechanocatalytic phenomena. During my studentship, I developed computational tools and elucidated physical origins of mechanical activation in chemical reactions.
2016-2018
MSc Chemical Sciences and Engineering
Hokkaido University
After working as a university instructor for my alma matter, I received the Japanese Monbukagakusho Scholarship for research and eventually for my Master's degree. During my stay, I developed an original python code to incorporate external mechanical force to the electronic Hamiltonian in Gaussian. This enabled me to study mechanochemical hydrolysis of chtin which was published and chosen as Supplementary Cover of ACS Journal of Physical Chemistry A.
2008-2012
BS Biochemistry
University of the Philippines - Manila
My undergraduate coursework equipped me with the fundamental understanding of chemistry and biochemistry. I studied organic mechanisms of enzymatic catalysis to physical chemistry of protein folding. For my undergraduate thesis, I pursued computer aided drug discovery wherein I used homology modelling, small molecule data bases and molecular docking techniques to find novel anti-malaria drug leads.
Publications
I take pride in showcasing my cutting-edge research and scientific endeavors in computational and quantum chemistry. I have a number of publications encompassing quantum mechanical methods such as Hartree-Fock and post-HF methods, including MP2 and CASPT2 as well as computational investigations of molecular properties and reactivities.
