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Anthony D. Dutoi
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Group leader

Anthony Dean Dutoi
Office:
Phone:
Fax:
Email:

CR 122A
+1-209 - 946 2590
+1-209 - 946 2607
adutoi@pacific.edusend email
Profiles


Ph.D. Students

Boris Daniel Gutiérrez-Cortés's (Ph.D. 2020) project is still top secret , but it is yet another abstracted variant of coupled-cluster theory.
 
Alumni
 
Yuhong Liu (Ph.D. 2017) wrote much of the code to implement the excitonic coupled-cluster method. He is now a software developer in the field of visualizing complex 3D structures.


Undergraduates

Please come talk to me if you are interested!
  • Kathleen Gani is forging into the world of classical molecular dynamics (MD), with the intention of looking into solvent effects on sugar conformations, and eventually lowering the barrier for the group to integrate of our electronic structure methods into MD embedding schemes.
  • Greg Savitt is starting to learn some linear algebra and python programming to implement a Lanczos-Arnoldi solver into our code. The idea is to compute spectra without needing to resolve every state.
  • Layth Tabbaa is working on developing some figures for an open quantum mechanics text.
Alumni
  • Latimer Harris–Ward worked on a Monte Carlo code base for studying molecular clusters using the excitonic coupled cluster method.
  • Johnson Liu worked on an applications project, attempting to understand the bond strengths of di-metallic complexes using DFT. He discovered he likes physics better and now works on lattice gauge theory in the Physics Dept.
  • Josiah Yoshimura did some exploratory work on decomposing correlation functions in model liquids. He loved programming so much he switched to CS and now works at Livermore National Laboratory.
  • Zubair Amin did some exploratory work on finding a user-friendly molecular-dynamics engine that we could use to explore liquid structure. He is now headed towards a Ph.D. and clinical research in pharmacology.
  • Kyu-Ri Lee mapped out the potential energy surface of two interacting water molecules.