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2007 Summer School on Computational Materials Science

Quantum Monte Carlo from Minerals and Materials to Molecules

July 9 - 19, 2007 · University of Illinois at Urbana-Champaign

Updated Wednesday, October 5, 2016

Poster Session Schedule

Board Number Poster Title Presenter
Group A 3:15-4:00pm
1 QMC calculation of forces and energy differences Alexander Kollias
3 TBA TBA
5 Quantum Molecular Dynamics Calculations on Warm Dense Hydrogen Bastian Holst
7 Study of an unusual class of magnetic materials: Insights from DFT and QMC calculations Priya Mahadevan
9 To be announced Murilo Tiago
11 Exploring water by QMC Leonardo Spanu
13 Anomalous elastic response of diamond single crystals to shock compression Keith Mclaughlin
15 Efficient Evaluation and Optimization of Correlation Functions for Quantum Monte Carlo Brian Austin
17 QMC and DFT functional performance for silica Kevin Driver
19 On the liquid- and solid- like nature of quantum clusters Javier Cuervo
21 Electronic structure of S1/2 excellent HAF Systems Sarita Salunke
23 Pressure-induced magnetic transitions in Ni-Fe, Pd-Fe and Pt-Fe Michael Winterrose
Group B 4:15-5:00pm
2 From fundamental understanding to predicting new nanomaterials for hydrogen storage Wei Zhou
4 Exploring quantum molecular dynamics approaches Yoonjung Huh
6 Variational microscopic treatment of halo nuclei Ivan Brida
8 The Lattice Stability of Aluminum-Rare Earth and Aluminum-Actinides Binary Systems: A First Principles Approach Michael Gao
10 Quantum Monte Carlo Study of Quasi-Two-Dimensional Spin Systems Daoxin Yao
12 Faster QMC with Lagrange and Splines William Parker
14 Ab initio Studies of the Possible Magnetism in BN Sheet by Non-magnetic Impurities and Vacancies Ru-fen Liu
16 Diffusion Monte Carlo Calculations of the zero-point energy in H5+ Zhen Xie
18 Prediction of Excited States for Carbon, Nitrogen and Oxygen systems using quantum Monte Carlo methods. Floyd A. Fayton, Jr.
20 Monte Carlo Simulation of Vortex Matter Two-Step Melting in High-Tc Superconductors Leonardo Viana
22 Parallelization of Stochastic Series Expansion on isotropic spin systems Ling Wang
24 Diffusion Monte Carlo Calculations of the Tunneling Splitting in
Malonaldehyde in Full Dimensionality
Yimin Wang
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