This document discusses molecular mechanics, which is a method for calculating the potential energy of a molecule based on interactions between its constituent atoms and bonds. It describes the various energy terms included in a typical molecular mechanics force field such as bond stretching, angle bending, torsions, electrostatic interactions, van der Waals forces, and hydrogen bonding. It also discusses how molecular mechanics simulations can be used to calculate molecular properties and model molecular interactions and dynamics.
D. Ishii, K. Ueda, H. Hosobe, A. Goldsztejn: Interval-based Solving of Hybrid...dishii
An approach to reliable modeling, simulation and verification of hybrid systems is interval arithmetic, which guarantees that a set of intervals narrower than specified size encloses the solution. Interval-based computation of hybrid systems is often difficult, especially when the systems are described by nonlinear ordinary differential equations (ODEs) and nonlinear algebraic equations.We formulate the problem of detecting a discrete change in hybrid systems as a hybrid constraint system (HCS), consisting of a flow constraint on trajectories (i.e. continuous functions over time) and a guard constraint on states causing discrete changes. We also propose a technique for solving HCSs by coordinating (i) interval-based solving of nonlinear ODEs, and (ii) a constraint programming technique for reducing interval enclosures of solutions. The proposed technique reliably solves HCSs with nonlinear constraints. Our technique employs the interval Newton method to accelerate the reduction of interval enclosures, while guaranteeing that the enclosure contains a solution.
EXPERT SYSTEMS AND SOLUTIONS
Project Center For Research in Power Electronics and Power Systems
IEEE 2010 , IEEE 2011 BASED PROJECTS FOR FINAL YEAR STUDENTS OF B.E
Email: expertsyssol@gmail.com,
Cell: +919952749533, +918608603634
www.researchprojects.info
OMR, CHENNAI
IEEE based Projects For
Final year students of B.E in
EEE, ECE, EIE,CSE
M.E (Power Systems)
M.E (Applied Electronics)
M.E (Power Electronics)
Ph.D Electrical and Electronics.
Training
Students can assemble their hardware in our Research labs. Experts will be guiding the projects.
EXPERT GUIDANCE IN POWER SYSTEMS POWER ELECTRONICS
We provide guidance and codes for the for the following power systems areas.
1. Deregulated Systems,
2. Wind power Generation and Grid connection
3. Unit commitment
4. Economic Dispatch using AI methods
5. Voltage stability
6. FLC Control
7. Transformer Fault Identifications
8. SCADA - Power system Automation
we provide guidance and codes for the for the following power Electronics areas.
1. Three phase inverter and converters
2. Buck Boost Converter
3. Matrix Converter
4. Inverter and converter topologies
5. Fuzzy based control of Electric Drives.
6. Optimal design of Electrical Machines
7. BLDC and SR motor Drives
D. Ishii, K. Ueda, H. Hosobe, A. Goldsztejn: Interval-based Solving of Hybrid...dishii
An approach to reliable modeling, simulation and verification of hybrid systems is interval arithmetic, which guarantees that a set of intervals narrower than specified size encloses the solution. Interval-based computation of hybrid systems is often difficult, especially when the systems are described by nonlinear ordinary differential equations (ODEs) and nonlinear algebraic equations.We formulate the problem of detecting a discrete change in hybrid systems as a hybrid constraint system (HCS), consisting of a flow constraint on trajectories (i.e. continuous functions over time) and a guard constraint on states causing discrete changes. We also propose a technique for solving HCSs by coordinating (i) interval-based solving of nonlinear ODEs, and (ii) a constraint programming technique for reducing interval enclosures of solutions. The proposed technique reliably solves HCSs with nonlinear constraints. Our technique employs the interval Newton method to accelerate the reduction of interval enclosures, while guaranteeing that the enclosure contains a solution.
EXPERT SYSTEMS AND SOLUTIONS
Project Center For Research in Power Electronics and Power Systems
IEEE 2010 , IEEE 2011 BASED PROJECTS FOR FINAL YEAR STUDENTS OF B.E
Email: expertsyssol@gmail.com,
Cell: +919952749533, +918608603634
www.researchprojects.info
OMR, CHENNAI
IEEE based Projects For
Final year students of B.E in
EEE, ECE, EIE,CSE
M.E (Power Systems)
M.E (Applied Electronics)
M.E (Power Electronics)
Ph.D Electrical and Electronics.
Training
Students can assemble their hardware in our Research labs. Experts will be guiding the projects.
EXPERT GUIDANCE IN POWER SYSTEMS POWER ELECTRONICS
We provide guidance and codes for the for the following power systems areas.
1. Deregulated Systems,
2. Wind power Generation and Grid connection
3. Unit commitment
4. Economic Dispatch using AI methods
5. Voltage stability
6. FLC Control
7. Transformer Fault Identifications
8. SCADA - Power system Automation
we provide guidance and codes for the for the following power Electronics areas.
1. Three phase inverter and converters
2. Buck Boost Converter
3. Matrix Converter
4. Inverter and converter topologies
5. Fuzzy based control of Electric Drives.
6. Optimal design of Electrical Machines
7. BLDC and SR motor Drives
Palestra proferida como parte da programação do seminário Sociolog@ndo: ensino de sociologia e suas conexões, é uma iniciativa do Núcleo de Pesquisa em Ensino e Sociologia (NUPESO/UFPE).
Dias 27,28 e 29 de Setembro.
Local: Auditório BARBOSA LIMA SOBRINHO
Térreo - UFPE/CFCH
A atividade “SOPA SOLIDÁRIA” pretende promover uma alimentação saudável e tem como objetivos alertar e consciencializar os alunos para as questões relacionadas com a alimentação e a promoção do envolvimento comunitário e solidário.
Cosmin Crucean: Perturbative QED on de Sitter Universe.SEENET-MTP
Lecture by dr Cosmin Crucean (Theoretical and Applied Physics, West University of Timisoara, Romania) on July 9, 2010 at the Faculty of Science and Mathematics, Nis, Serbia.
This Presentation was prepared to help the readers to get the basic ideas for learning about the concepts of Quantum Numbers in Elementary Partcles ...
9. •
i k (i)
Σ
Ebonds = bonds ( L (i) – L (i,0) )2
2
•
i k (i)
Eangles = Σ ( θ(i) – θ(i,0) )2
angles 2
•
V (i)
i
Etorsions = Σ ( 1 + cos ( nω - γ) )
torsions 2
10. • ( )
n m Q(n) Q(m)
Eelesta = Σ Σ
atoms atoms 4πε r ( n , m )
• Van der Waal (Lennard Jones )
n m A(n,m) C ( n , m )
Evdw = Σ Σ ( - )
atoms atoms r ( n , m ) 12 r ( n , m ) 6
17. •
n m A(n,m) C ( n , m )
Ehbond = Σ Σ ( - ) cos2 θ cos4 ω
atoms atoms r ( n , m ) 12 r ( n , m ) 10
θ donner H acceptor ω H acceptor (lone pair)
donner acceptor
25. Etotal = Ebonds + Eangles + Etorsions +
Eelesta + Evdw + Ehbond + E ics
i m i v i 2
Ekinetics = Σ T m, v
atoms 2 T
F=ma
n m
P V = nRT (Σ Σ r (n,m) F (n,m) ) / 3 PV
atoms atoms rF
35. Lisinopril ACE
central C=O terminal
carboxy
central NH
O COO-
phenyl ethyl
H pyrrodiline ring
(CH 2) 2 N
N Lisinopril
COO - (CH 2) 4
lysinyl
central NH3 +
carboxy
40. •
Andrew R. Leach
ISBN4-8052-0752-3
• ChemBio3D Ultra
CambridgeSoft
http://www.cambridgesoft.com/
• Molecular Operating Environment(MOE)
Chemical Computing Group
http://www.chemcomp.com/