Quantum Monte Carlo methods Prof

Slides:



Advertisements
Similar presentations
Use of High-Performance Computing in Physics David Bird Works on quantum mechanics of electrons at surfaces and electromagnetism of photonic crystals.
Advertisements

1. 2 Molecular nanomagnets as milestones for the study of low-dimensional magnetism: fundamental physics and applications magnetism: fundamental physics.
WHAT YOU NEED TO DO AS AN UNDERGRADUATE TO GET INTO GRADUATE SCHOOL So you want to go to grad school, huh?
1. Determine the number of atoms in 2.50 mol Zn.
CAREER PATHS CONTRASTED Large research university Small teaching college Government research lab Industrial research lab.
Software Demonstration and Course Description P.N. Lai.
An Institute for Theory and Computation In Molecular and Materials Sciences at the University of Florida Theory & Computation for Atomic & Molecular Materials.
Graduate School: Applications, Finances, Succeeding Nancy M. Amato Parasol Lab,Texas A&M University.
TMS Feb 2010 ZMC: A Tool for Modelling Diffuse Scattering from Single Crystals D.J.Goossens AINSE Fellow Research School of Chemistry Australian National.
Quantum Monte Carlo for Electronic Structure Paul Kent Group Meeting - Friday 6th June 2003.
Applied Electricity and Magnetism
Nanocrystal Non-volatile Memory Devices Kedar Patel Liu et al (April 2006) Blauwe (Trans. on Nanotechnology, March 2002) Lin et al (TED, April 2006)
This summer school brought together scientists from geophysics, physics, materials science, chemistry and high-performance computing to learn fundamentals.
Computational Solid State Physics 計算物性学特論 第9回 9. Transport properties I: Diffusive transport.
Practical quantum Monte Carlo calculations: QWalk
Computational Solid State Physics 計算物性学特論 第8回 8. Many-body effect II: Quantum Monte Carlo method.
1 lectures accompanying the book: Solid State Physics: An Introduction, by Philip Hofmann (2nd edition 2015, ISBN- 10: , ISBN-13: ,
PITP ACTIVITIES A. RESEARCH NETWORKS A set of research networks coordinates INTERNATIONAL RESEARCH COLLABORATIONS, which.
Bridging Atomistic to Continuum Scales – Multiscale Investigation of Self-Assembling Magnetic Dots Katsuyo Thornton (University of Michigan Ann Arbor)
computer
PARTNERSHIP IN INTERNATIONAL RESEARCH AND EDUCATION (PIRE) PROGRAM FOR THEORETICAL AND COMPUTATIONAL CHEMISTRY Simulation of Electronic Non-Adiabatic Dynamics.
The Power Systems Lab Department of Electrical and Computer Engineering McGill University Montreal, QC.
Magnetic Nanoclusters
Par: Grace McNamara MONTE CARLO, MONACO.
1 Investigative Tools--Theory, Modeling, and Simulation Rational You ITRI-IEK-NEMS 2001/08/06 Source: IWGN (1999/09)
Institute for Theory and Computation
NCN nanoHUB.org Wagner The basics of quantum Monte Carlo Lucas K. Wagner Computational Nanosciences Group University of California, Berkeley In collaboration.
Electrooptic Materials Based On Molecular Compasses And Gyroscopes: Effects Of Symmetry, Conjugation, And Correlated Dipolar Rotation Miguel A. Garcia-Garibay,
Lobachevsky State University of Nizhniy Novgorod
Electric field which acts on core C due to the valence electrons and the other cores. Where is a cutoff function for the electric field inside the core.
High-throughput Structural Inferencing James P. Lewis, West Virginia University Research Corporation, DMR Complex zeolites composed of Al, P, Si.
Mesoscopic physics and nanotechnology
Bridging Atomistic to Continuum Scales – Multiscale Investigation of Self-Assembling Magnetic Dots in Heteroepitaxial Growth Katsuyo Thornton, University.
There are three states of matter: gas, solid and liquid All matter is made of atoms An element is made up of one type of atom A molecule is a combination.
Toward a Structure Determination Method for Biomineral-Associated Protein Using Combined Solid- State NMR and Computational Structure Prediction David.
Existing Proposal: (1) SF in pentacene-C 60 (PEN:C 60 ) solar cells generates two PEN triplets at energy E T 1 from a single optical singlet at energy.
Task A: ZEUS N. Brummer, B. Bylsma, L.S. Durkin, J. Gilmore, C. Ginsburg, C.L. Kim, T.Y. Ling.
First-Principles Based Prediction of High-Temperature Defect Chemistry and Conductivity of TiO 2 Elizabeth C. Dickey, Pennsylvania State Univ University.
Scott Hildreth - Chabot College
Gas Transport Phenomena in Nanoporous Material
Electrons in a Crystal Chapter 6: 3
Computer Simulations of
Monte Carlo Methods in Scientific Computing
الحاسب والتعليم رامي حسين
Band-structure calculation
(A) Stereoview of the active site of IspH with bound HMBPP (Green) including coordinated water at position W1 (Gray). (A) Stereoview of the active site.
ECE 874: Physical Electronics
ECE 874: Physical Electronics
Lab 2: Density Determinations
SEMINAR 1. Title : Quantum photonics with solid-state quantum emitters
武汉物数所理论交叉学术交流系列报告 (第一三四期)
CSC4005 – Distributed and Parallel Computing
Molecular Mechanics Molecular Dynamics.
Density.
Determining Density Chapter 2 Section 2 pp
Dynamical mean field theory: In practice
Understanding the Growth Mechanisms
2019 Workshop on Recent Developments in Electronic Structure
Unit 3 Review (Calculator)
化工学院第七届国际交流月系列讲座 邀请人:王文俊 化学工程与生物工程学院 化学工程联合国家重点实验室(浙江大学)
Seniors' Pursuit of Advanced Education,
Aim: How can I calculate density of an irregular object
Density of States (DOS)
Calculate 9 x 81 = x 3 3 x 3 x 3 x 3 3 x 3 x 3 x 3 x 3 x 3 x =
Multiscale Modeling and Simulation of Nanoengineering:
Exotic magnetic states in two-dimensional organic superconductors
Density of States (DOS)
Benchmark Quantum Monte Carlo Calculations for Carbon and Hydrocarbon Species James B. Anderson, Department of Chemistry, Pennsylvania State University.
What I Learned. What I Learned The First Rule of Quantum Mechanics.
Atilla Ozgur Cakmak, PhD
Presentation transcript:

Quantum Monte Carlo methods Prof Quantum Monte Carlo methods Prof. Lubos Mitas Graduate Research Assistants: Lucas Wagner/NSF Grad. Res. Fellow Michal Bajdich Undergraduate Research Assistant: David Sulock Postdoctoral Research Associate: Gabriel Drobny

Development of advanced computational methods for electronic structure problems Applications to: molecules nanoclusters solids Electron density and states in Si29H24 nanocrystal

Calculations of solid materials: hexaboride CaB6 with Fe doping

Development of advanced computational methods for electronic structure problems Applications to: molecules and biomolecules clusters solids