Video - Nanotechnology

Loading...

Thursday, September 13, 2007

Computational molecular modeling and simulation



Computational molecular modeling and simulation approaches have become very powerful tools that can be used to predict and investigate atomic structure, geometrical and electronic properties, binding energies, charge transfer, interactions between molecules, hydration structure, etc. The two most common models that are used in the molecular modeling and simulation are quantum mechanics and molecular mechanics. The choice of technique depends on the conditions such as desired properties of molecules, reliable results comparing with the experimental results, the length and time scales of interested systems, availability of computer resources for calculations, etc. In general, a few tens to hundreds of atoms are very accurately simulated with quantum mechanics methods, wherein the simulations are aimed toward the solution of the complex quantum many-body Schrödinger equation of the atomic system (including nuclei and electrons), using numerical algorithms. For larger size systems (hundreds of thousands of atoms), classical atomistic or molecular dynamic (MD) simulations, which refer most commonly to the situation wherein the motion of atoms or molecules is treated using approximate finite difference equations of Newtonian mechanics are used.
See Molecular Simulation Center Point (Thailand) at http://nanotech.sc.mahidol.ac.th/simulation/index.html

10 comments:

Anurak (Nu) said...

Cool.....nanoman

Cherry said...

Interesting to know.

Anonymous said...

nano-modern.blogspot.com is very informative. The article is very professionally written. I enjoy reading nano-modern.blogspot.com every day.
payday loans calgary
faxless payday loans

Anonymous said...

buy alprazolam online no prescription buy 1 mg xanax online - picture of alprazolam 0.5mg

Anonymous said...

We are all a sucκеr for an οctoрus!
Ha ha ha...

Alѕο νisit my blog post; personal loans bad credit

ninest123 said...

ninest123 16.01
louis vuitton, uggs on sale, louis vuitton, tiffany jewelry, cheap oakley sunglasses, ugg boots, ugg boots, michael kors, michael kors outlet, longchamp, chanel handbags, louis vuitton, replica watches, polo ralph lauren outlet, christian louboutin outlet, louis vuitton outlet, tiffany and co, ugg boots, polo ralph lauren outlet, longchamp outlet, nike air max, oakley sunglasses, michael kors outlet, burberry outlet online, louis vuitton outlet, ray ban sunglasses, nike outlet, ray ban sunglasses, burberry, louboutin shoes, jordan shoes, louboutin, oakley sunglasses, oakley sunglasses, gucci outlet, longchamp outlet, nike free, prada handbags, tory burch outlet, prada outlet, ugg boots, michael kors outlet, oakley sunglasses, replica watches, michael kors outlet, michael kors outlet, louboutin outlet, nike air max, ray ban sunglasses

ninest123 said...

lacoste pas cher, nike roshe, air force, hogan, hermes, tn pas cher, sac guess, ralph lauren uk, nike air max, vanessa bruno, north face, ray ban pas cher, coach purses, hollister pas cher, michael kors, true religion jeans, ralph lauren pas cher, nike air max, converse pas cher, oakley pas cher, air jordan pas cher, nike roshe run, air max, true religion outlet, louboutin pas cher, north face, nike trainers, hollister, true religion jeans, sac longchamp, ray ban uk, michael kors, nike huarache, replica handbags, burberry, nike free, nike free run uk, timberland, new balance pas cher, nike air max, michael kors, michael kors, mulberry, true religion jeans, vans pas cher, lululemon, longchamp, coach outlet, abercrombie and fitch, longchamp pas cher, nike blazer

ninest123 said...

mont blanc, oakley, iphone 6s cases, nike roshe, jimmy choo shoes, louboutin, hollister, celine handbags, instyler, converse, new balance, giuseppe zanotti, babyliss, timberland boots, iphone 5s cases, mac cosmetics, asics running shoes, nike air max, ray ban, ipad cases, north face outlet, soccer jerseys, lululemon, abercrombie and fitch, ghd, chi flat iron, nfl jerseys, vans, iphone cases, nike air max, ralph lauren, vans shoes, wedding dresses, baseball bats, herve leger, beats by dre, insanity workout, reebok shoes, iphone 6 cases, valentino shoes, north face outlet, birkin bag, iphone 6 plus cases, ferragamo shoes, iphone 6s plus cases, s5 cases, gucci, hollister, soccer shoes, p90x workout, bottega veneta, mcm handbags

ninest123 said...

toms shoes, ugg boots uk, barbour jackets, moncler outlet, canada goose uk, thomas sabo, pandora jewelry, pandora jewelry, doke gabbana outlet, ugg,uggs,uggs canada, barbour, swarovski, canada goose, lancel, moncler, ugg pas cher, canada goose outlet, coach outlet, canada goose, wedding dresses, karen millen, moncler, juicy couture outlet, moncler, replica watches, pandora charms, louis vuitton, sac louis vuitton pas cher, canada goose, pandora charms, louis vuitton, ugg,ugg australia,ugg italia, louis vuitton, swarovski crystal, converse outlet, supra shoes, moncler, moncler, canada goose outlet, bottes ugg, juicy couture outlet, doudoune canada goose, hollister, links of london, louis vuitton, canada goose, moncler, montre pas cher, moncler, marc jacobs
ninest123 16.01

dong dong23 said...

nike factory outlet
juicy couture outlet
pandora jewelry
louboutin
louboutin
fitflops
ferragamo
ugg australia
michael kors handbags
michael kors outlet
201711.17wengdongdong