People


Principal Investigator

Gabriel HannaGabriel Hanna
I received my BSc (Hon) in Chemistry from Laurentian University in 2001 and PhD in Chemistry from the University of Toronto in 2006, under the supervision of Prof. Raymond Kapral. My PhD research focused on the development and application of mixed quantum-classical techniques for simulating proton transfer reactions in condensed phase systems. From 2006 to 2009, I was a postdoctoral researcher at the University of Michigan, Ann Arbor, working under the supervision of Prof. Eitan Geva. There, I worked on a mixed quantum-classical methodology for simulating multidimensional infrared spectra. In August 2009, I joined the Chemistry Department at the University of Alberta. My current research program involves (1) development and testing of efficient and accurate ways for simulating mixed quantum-classical dynamics and nonlinear optical signals, (2) mixed quantum-classical studies of charge and energy transport, and (3) ab-initio molecular dynamics studies of aqueous carbonic acid chemistry.



Postdoctoral Fellow

David Dell'Angelo David Dell'Angelo
I am from Italy and obtained my MSc in Chemistry at the University of Milano (Italy) under the supervision of Dr. Michele Ceotto and my PhD in Physics at the University of Rennes 1 (France) under the supervision of Dr. Alexandra Viel. I was a postdoctoral researcher at the University of South Carolina, working under the supervision of Prof. Sophya Garashchuk. I am interested in the numerical implementation of classical and semiclassical trajectory methods, Monte Carlo methods, nuclear quantum dynamical effects, proton transfer reactions, and adsorption/chemisorption processes. I joined Dr. Hanna's group in February 2015 to work on developing schemes for more efficient solutions of the quantum-classical Liouville equation.



Graduate Students

Franz Martinez Franz Martinez
I am from Mexico and obtained my BSc and MSc in Chemistry at the National Autonomous University of Mexico (UNAM). I joined Dr. Hanna's group in September 2012 to pursue my PhD in theoretical chemistry. I am particularly interested in the use and development of theory and methods for simulating chemical processes in complex condensed phase systems based on mixed quantum-classical mechanics. Currently, my PhD research is focused on the use of approximate solutions of the mixed quantum-classical Liouville equation for modeling nonlinear optical signals. In addition, I am using the same formalisms for simulating proton transfer reactions in nanoclusters of polar molecules.



Pablo Carpio Martinez Pablo Carpio Martinez
I am from Mexico. I completed my BSc in Chemistry at the Autonomous University of the State of Mexico (UAEMex) and my MSc degree in Chemistry at the National Autonomous University of Mexico (UNAM). In September 2016, I started my PhD studies at the University of Alberta as a member of Dr. Hanna's group. My research interests lie in understanding the dynamics and ultrafast spectroscopy of vibrational energy transport in extended chemical and biological systems, which can be studied using a combination of quantum chemistry techniques and mixed quantum-classical dynamics.







Undergraduate Student

Yin Juan Hu Yin Juan Hu
I am from China and currently a third year Chemistry major at the University of Alberta. I joined Dr. Hanna’s group in May 2017 in order to gain some research experience and learn about molecular dynamics simulation. My summer research focuses on the testing of force fields for molecular dynamics simulations of dicationic ionic liquids (ILs) and the effect of temperature on various properties of these ILs.








Former group members

  • Tianli Liu
  • Farnaz Shakib
  • Minghao (Mary) Li
  • Tanner Steed
  • Mirza Galib
  • Holly Freedman
  • Shuai Sun
  • Joe Tomkins
  • Najeh Rekik
  • Elsie Sow