Jeffrey A. Nichols

Ionization Potential, Electron Affinity, Electronegativity, Hardness, and Electron Excitation Energy:  Molecular Properties from Density Functional Theory Orbital Energies

Chang‐Guo Zhan, Jeffrey A. Nichols, David A. Dixon · The Journal of Physical Chemistry A · 2003 · 1.5K citations

Engineering, Theoretical Inorganic Chemistry, Electron Affinity +18

High performance computational chemistry: An overview of NWChem a distributed parallel application

Ricky A. Kendall, Edoardo Aprà, David E. Bernholdt et al. · Computer Physics Communications · 2000 · 739 citations

Cluster Computing, Chemical Engineering, Massively-parallel Computing +11

Comparison of perturbative and multiconfigurational electron propagator methods

V. G. Zakrzewski, J. V. Ortiz, Jeffrey A. Nichols et al. · International Journal of Quantum Chemistry · 1996 · 214 citations

Numerical Analysis, Engineering, Computational Chemistry +17

TeraGrid: Analysis of organization, system architecture, and middleware enabling new types of applications

Charlie Catlett, William Allcock, Phil Andrews et al. · IUScholarWorks (Indiana University) · 2008 · 153 citations · Full text

An integrative modeling framework to evaluate the productivity and sustainability of biofuel crop production systems

Xin Zhang, R. C. Izaurralde, David H. Manowitz et al. · GCB Bioenergy · 2010 · 119 citations

Engineering, Bioenergy, Ecological Modelling +24