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Weitao Yang

Philip Handler Distinguished Professor of Chemistry
Chemistry
Box 90346, Durham, NC 27708-0346
5310 French Family Science Center, Durham, NC 27708

Selected Grants


Simulating Chemical Reactions in Etching Process

ResearchPrincipal Investigator · Awarded by Lam Research Corporation · 2023 - 2026

Computer Simulations of Enzymes

ResearchPrincipal Investigator · Awarded by National Institutes of Health · 2000 - 2025

Development and Applications of Density Functional Methods for Large Systems

ResearchPrincipal Investigator · Awarded by National Science Foundation · 2022 - 2024

EAGER: Exploring the Quantum-Mechanical Basis of Odorant Detection by Olfactory Receptors

ResearchCo-Principal Investigator · Awarded by National Science Foundation · 2021 - 2024

Molecular Mechanisms of Spontaneous and Hsp70-assisted Renaturation of Misfolded Proteins

ResearchCo-Principal Investigator · Awarded by National Science Foundation · 2018 - 2023

Development and Applications of Density Functional Methods for Large Systems

ResearchPrincipal Investigator · Awarded by National Science Foundation · 2019 - 2023

Bioinformatics and Computational Biology Training Program

Inst. Training Prgm or CMEMentor · Awarded by National Institutes of Health · 2005 - 2021

Center for Complex Materials from First Principles (CCM)

ResearchPrincipal Investigator · Awarded by Temple University · 2018 - 2020

Localized Orbital Scaling Correction for Periodic Systems - Phase II

FellowshipPrincipal Investigator · Awarded by Molecular Sciences Software Institute · 2018 - 2019

Vectorial Folding of Large, Multidomain Proteins

ResearchCo-Principal Investigator · Awarded by National Science Foundation · 2015 - 2018

Center for the Computational Design of Functional Layered Materials

ResearchPrincipal Investigator · Awarded by Temple University · 2014 - 2018

Development and Applications of Density Functional Methods for Large Systems

ResearchPrincipal Investigator · Awarded by National Science Foundation · 2006 - 2018

Theory Assisted Library and Inverse Design for Materials Optimization

ResearchCo Investigator · Awarded by Samsung Electronics Co., Ltd. · 2013 - 2016

Structural Biology and Biophysics Training Program

Inst. Training Prgm or CMEMentor · Awarded by National Institutes of Health · 1994 - 2015

Vectorial Folding of Protiens and Nascent Polypeptide Chains by AFM and Computer Simulations

ResearchCo Investigator · Awarded by National Science Foundation · 2011 - 2014

Theory and Design of Molecular Electronics for Sensor Applications

ResearchPrincipal Investigator · Awarded by Office of Naval Research · 2009 - 2014

Conformations of Polysaccharides and Nucleic Acids by Single Molecule Force Spectroscopy

ResearchCo-Principal Investigator · Awarded by National Science Foundation · 2007 - 2011

Coherence and Correlations in Electronic Nanostructures

ResearchCo-Principal Investigator · Awarded by National Science Foundation · 2005 - 2009

Development and Applications of Density Functional Methods for Large Systems

ResearchPrincipal Investigator · Awarded by National Science Foundation · 2003 - 2007

Coherence and Correlation in Electronic Nanostructures

ResearchCo-Principal Investigator · Awarded by National Science Foundation · 2001 - 2006

Individual National Research Service Award (Postdoctoral Fellowship)

FellowshipPrincipal Investigator · Awarded by National Institutes of Health · 2001 - 2002

Development and Applications of Density Functional Methods for Large Systems

ResearchPrincipal Investigator · Awarded by National Science Foundation · 1998 - 2002

Symposium on Density Functional Theory and Applications

ConferencePrincipal Investigator · Awarded by National Science Foundation · 1997 - 1998

The Divide and Conquer Density Functional Approach for Large Molecules and for Molecules on Surface

ResearchPrincipal Investigator · Awarded by National Science Foundation · 1995 - 1998

The Divide-and-Conquer Density Functional Approach for Large Molecules and for Molecules on Surfaces

ResearchPrincipal Investigator · Awarded by National Science Foundation · 1995 - 1997

The Divide and Conquer Density Functional Approach for Large Molecules and for Molecules on Surfaces

ResearchPrincipal Investigator · Awarded by National Science Foundation · 1995 - 1997

Quantum Molecular Modeling with Massively Parallel Computers: A Divide-and-Conquer Approach

ResearchPrincipal Investigator · Awarded by Environmental Protection Agency · 1993 - 1996

Applying Density-Functional Theory to Large Molecules: Theoretical and Computational Development

ResearchPrincipal Investigator · Awarded by National Science Foundation · 1991 - 1993

External Relationships


  • AIP Publishing
  • Ten63 Therapeutics (previously called Gavilan Biodesign, Inc. )
  • the New Cornerstone Investigator Program

This faculty member (or a member of their immediate family) has reported outside activities with the companies, institutions, or organizations listed above. This information is available to institutional leadership and, when appropriate, management plans are in place to address potential conflicts of interest.