Skip to main content
Research
Biological Science
Bioenergy/Biomass Conversion
Biodefense & Emerging Infectious Diseases
Capabilities
Soil carbon working group: Collaborative science to enhance predictive understanding.
Commercialization & Partnering
Partnership Mechanisms
People in Bioscience
Computing, Information Science, and Mathematics
Artificial Intelligence (AI)
New Mexico Artificial Intelligence Consortium (NMAIC)
Earth, Energy, and Environmental Science
Engineering Science
Materials and Advanced Manufacturing
People
Nanodevices and Microsystems
Physical Science
Radiation Effects and High Energy Physics
Electromagnetics
Programs & Capabilities
Partnership Opportunities
Contact Information
Laboratory Directed R&D
Publications
SECANT QKD
Leadership
Invited Talks, Publications, & Patents
News and Events
Programs
Nuclear Weapons
National Security
Global Security
Energy
Facilities
R&D 100 Awards
Publications
Search
Publications
Publications
/
Conference
From molecular grand-canonical density functional theory towards rational compound design
von Lilienfeld-Toal, Otto A.
Abstract not provided.