text-only page produced automatically by LIFT Text Transcoder Skip all navigation and go to page contentSkip top navigation and go to directorate navigationSkip top navigation and go to page navigation
National Science Foundation Home National Science Foundation - Mathematical & Physical Sciences (MPS)
Mathematical & Physical Sciences (MPS)
design element
MPS Home
About MPS
Funding Opportunities
Awards
News
Events
Discoveries
Publications
Advisory Committee
Career Opportunities
2013-2014 Distinguished Lecture Series
View MPS Staff
MPS Organizations
Astronomical Sciences (AST)
Chemistry (CHE)
Materials Research (DMR)
Mathematical Sciences (DMS)
Physics (PHY)
Office of Multidisciplinary Activities (OMA)
Proposals and Awards
Proposal and Award Policies and Procedures Guide
  Introduction
Proposal Preparation and Submission
bullet Grant Proposal Guide
  bullet Grants.gov Application Guide
Award and Administration
bullet Award and Administration Guide
Award Conditions
Other Types of Proposals
Merit Review
NSF Outreach
Policy Office
Other Site Features
Special Reports
Research Overviews
Multimedia Gallery
Classroom Resources
NSF-Wide Investments

Email this pagePrint this page
All Images

Discovery
Video Game Technology and Science?

Back to article | Note about images

Graphical representation of seven test molecule structures.

Structures of seven test molecules calculated by the "Direct Self-Consistent-Field" algorithm rewritten to run on a computer's graphical processing unit (GPU). The numbers indicate how much faster the GPU-ran algorithm calculates the structure of molecules in comparison to a molecular design program called GAMESS running on a computer's central processing unit. Carbon atoms are aqua, nitrogen atoms are blue, oxygen atoms are red and hydrogen atoms are white. In the image above, C60 is made of 60 carbon atoms and commonly referred to as a "buckyball," valinomycin transports potassium ions in biological systems, taxol is a chemotherapy drug, and CLN025 is a recently reported artificial protein.

Credit: Ivan S. Ufimtsev, Stanford University


Download the high-resolution JPG version of the image. (1.3 MB)

Use your mouse to right-click (Mac users may need to Ctrl-click) the link above and choose the option that will save the file or target to your computer.

Graphical representation of seven test molecules and 3D electron orbitals.

Graphical representation of seven test molecules and 3D electron orbitals. The molecular structures were calculated by the "Direct Self-Consistent-Field" algorithm rewritten to run on a computer's graphical processing unit. Positive and negative regions of the electron orbitals are colored blue and orange, respectively. Carbon atoms are aqua, nitrogen atoms are blue, oxygen atoms are red and hydrogen atoms are white.

Credit: Ivan S. Ufimtsev, Stanford University


Download the high-resolution JPG version of the image. (151 KB)

Use your mouse to right-click (Mac users may need to Ctrl-click) the link above and choose the option that will save the file or target to your computer.

Graphical representation of the caffeine test molecule and its highest-occupied 3D electron orbital.

Graphical representation of the caffeine test molecule and its highest-occupied 3D electron orbital. The molecular structure was calculated by the "Direct Self-Consistent-Field" algorithm rewritten to run on a computer's graphical processing unit. Positive and negative regions of the electron orbital are colored blue and orange, respectively. Carbon atoms are aqua, nitrogen atoms are blue, oxygen atoms are red and hydrogen atoms are white.

Credit: Ivan S. Ufimtsev, Stanford University


Download the high-resolution JPG version of the image. (151 KB)

Use your mouse to right-click (Mac users may need to Ctrl-click) the link above and choose the option that will save the file or target to your computer.

Graphical representation of the olestra test molecule and its highest-occupied 3D electron orbital.

Graphical representation of the olestra test molecule and its highest-occupied 3D electron orbital. The molecular structure was calculated by the "Direct Self-Consistent-Field" algorithm rewritten to run on a computer's graphical processing unit. Positive and negative regions of the electron orbital are colored blue and orange, respectively. Carbon atoms are aqua, nitrogen atoms are blue, oxygen atoms are red and hydrogen atoms are white

Credit: Ivan S. Ufimtsev, Stanford University


Download the high-resolution JPG version of the image. (211 KB)

Use your mouse to right-click (Mac users may need to Ctrl-click) the link above and choose the option that will save the file or target to your computer.



Email this pagePrint this page
Back to Top of page