'Energy gradient' diaporamas de présentation

3. Optimization Methods for Molecular Modeling

3. Optimization Methods for Molecular Modeling. by Barak Raveh. Outline. Introduction Local Minimization Methods (derivative-based) Gradient (first order) methods Newton (second order) methods Monte-Carlo Sampling (MC) Introduction to MC methods Markov-chain MC methods (MCMC)

1.77k views • 97 slides

TRAJECTORY MODIFICATION TECHNIQUES IN COVERAGE PLANNING

703 views • 53 slides

Femtochemistry: A theoretical overview

Femtochemistry: A theoretical overview. Introduction. Mario Barbatti mario.barbatti@univie.ac.at. This lecture can be downloaded at http://homepage.univie.ac.at/mario.barbatti/femtochem.html lecture1.ppt. settling the bases: photochemistry, excited states, and conical intersections.

749 views • 45 slides

Water Resources of Turkey Emphasis on Karst

Water Resources of Turkey Emphasis on Karst. International Research Center For Karst Water Resources Hacettepe University Ankara http:\www.karst.hacettepe.edu.tr. Distribution of Precipitation Over Turkey. Annual Mean=680 mm. For the Near East: 205 mm. Climate in Turkey. Humid or Arid ?.

643 views • 42 slides

Temperature, Heat, and Laws of Thermodynamics

Temperature, Heat, and Laws of Thermodynamics. Kinetic Energy Tie In. There were 4 main types of kinetic energy that we went over. Translational KE Rotational KE Mechanical KE Vibrational KE. Translational KE is when an object is moving forward.

462 views • 33 slides

Energy partitioning

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Lecture Notes 2 Chapter 10: Channel Geometry

Lecture Notes 2 Chapter 10: Channel Geometry. A channelized stream in poor condition. Types of flow:. Slide from Dr. Isaac. Types of flow:. Slide from Dr. Isaac. Channel Types . Slide from Dr. Isaac. Channel Geometry .

648 views • 21 slides

Soil Physics 2010

Outline. Announcements Where were we? More saturated flow. Soil Physics 2010. Announcements. Homework is due now. If all homeworks are handed in now, I will post my answers right after class Reminder: Exam Friday Example exam is posted. Soil Physics 2010. Where were we?.

301 views • 21 slides

Geometry Optimization

Geometry Optimization. Pertemuan VI. Geometry Optimization. Backgrounds Real molecules vibrate thermally about their equilibrium structures. Finding minimum energy structures is key to describing equilibrium constants, comparing to experiment, etc. Geometry Optimization.

969 views • 20 slides

Plant Biology Fall 2006

BISC 367 - Plant Physiology Lab Spring 2009. Plant Biology Fall 2006. Notices: General reading Taiz and Zeiger: Chapter 7, Photosynthesis: the Light Reactions. Photosynthesis - light. Photosynthesis (P/S) uses light energy to build carbon compounds

422 views • 16 slides