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Division of Chemistry

Cyber-Enabled Chemistry

This program has been archived.


Name Email Phone Room
Carlos  A. Murillo cmurillo@nsf.gov (703) 292-4970   


Cyberinfrastructure (CI) is creating new chemical research and education paradigms through grid computing, community databases, remote access to instrumentation, electronic support for geographically dispersed collaborations, and other web- and grid-accessible services. A team of researchers can now assemble distributed expertise and resources in a virtual lab to target chemical research and education priorities. Advances in CI in areas such as scientific portals, workflow management, computational modeling, and data and molecular visualization will clearly impact the day-to-day practice of chemistry. These advances will make it possible to work productively with chemical systems of unprecedented complexity - systems that span multiple scales of length, time, and organization, and involve voluminous quantities of data. CI can be used to inform synthetic efforts and to permit experimental measurements to be modified in real time. Moreover, the access to expertise and resources that CI provides holds the potential for individuals to collaborate with anyone, anywhere, anytime. CI promises to broaden participation in the chemical sciences to create a truly inclusive national and international community.


Chemistry Research Instrumentation and Facilities (NSF 08-504)

Cyber-Enabled Discovery and Innovation (CDI) (NSF 07-603)

Community-based Data Interoperability Networks (NSF 07-565)

Cyberinfrastructure Training, Education, Advancement, and Mentoring for Our 21st Century Workforce (CI-TEAM) (NSF 07-654)

DDDAS: Dynamic Data Driven Applications Systems (NSF 05-570)

Emerging Models and Technologies for Computation (EMT) (NSF 05-626)


Emerging Frontiers in Research and Innovation (NSF 06-596)

Software Development for Cyberinfrastructure (SDCI) (NSF 07-503)

Accelerating Discovery in Science and Engineering Through Petascale Simulations and Analysis (PetaApps) (NSF 07-559)


Cyber-Enabled Chemistry Highlights

Cyber-enabled Discovery and Innovation (CDI)

FAQs regarding: “Cyber-enabled Discovery and Innovation (CDI)” (NSF 07-603)

Chemical & Engineering News editorial

C&EN Article on Cyber-Enabled Chemistry

Chemistry Division Cyber-Enabled Chemistry Workshop

Jan. 06 Dynamic Data-Driven Applications Systems (DDDAS) Workshop Presentations

Jan. 06 Dynamic Data-Driven Applications Systems (DDDAS) Workshop Report

Chemistry Meets Computer, Data and Networking Technologies

Computational Science and Engineering Online (CSEO)

Cyberinfrastructure Technology Watch

Dear Colleague Letter on Cyber-Enabled Chemistry


Great Lakes Instrumentation Collaboratory (GLIC)

Math and Physical Sciences Cyberscience/Cyberinfrastructure Workshop

Mass Spectrometry: Remote Experimentation and Collaboration

NSF Blue-Ribbon Advisory Panel on Cyberinfrastructure

Office of Cyberinfrastructure

President's Information Technology Advisory Committee Reports

Request for Public Comment on "NSF's Cyberinfrastructure Vision for 21st Century Discovery"


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