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Physics、Chemistry          

 
 
In field of physics and chemistry, current high-performance computing applications, most of use the molecular dynamics, quantum mechanics and so on, through computer simulations to research the microscopic system of the behavior. General such research are needed on a larger degree of parallel scale computing. Research system scale, larger, more complex, more selection, it needs more computing resources, greater the degree of parallel computing.
 
Typical Applications:


Creating Conformational Entropy by Increasing Interdomain Mobility in Ligand Binding Regulation: A Revisit to N-Terminal Tandem PDZ Domains of PSD-95

Manipulating Biomolecules with Aqueous Liquids Confined within Single-Walled Nanotubes

Synthetic Haggite V4O6(OH)(4) Nanobelts: Oxyhydroxide as a New Catalog of Smart Electrical Switch Materials

How Graphene Is Cut upon Oxidation?

Evidence of Significant Covalent Bonding in Au(CN)(2)(-)

Stable Liquid Water Droplet on a Water Monolayer Formed at Room Temperature on Ionic Model Substrates

Water-mediated signal multiplication with Y-shaped carbon nanotubes

分子体系中应力导致的去浸润:PTCDA在NaCl表面的两种生长模式

金红石相TiO2(110)表面上的氧空位与外部应力的相互关系

锌指半胱氨酸(2)-组氨酸(2)的金属耦合折叠

通过第一性原理的统计力学研究了解钌和铑上Fischer-Tropsch反应选择性开关

 


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