| Outcomes Of Openmp Hackathon: Openmp Application Experiences With The Offloading Model (Part I) | 0 | 0.34 | 2021 |
| Effect of frequency scaling granularity on energy-saving strategies | 0 | 0.34 | 2019 |
| Application Of A Semi-Empirical Dispersion Correction For Modeling Water Clusters | 0 | 0.34 | 2019 |
| Comparisons of core and uncore frequency scaling modes in quantum chemistry application GAMESS. | 0 | 0.34 | 2018 |
| ParFit: A Python-Based Object-Oriented Program for Fitting Molecular Mechanics Parameters to ab Initio Data. | 1 | 0.35 | 2017 |
| Nontotally Symmetric Trifurcation Of An S(N)2 Reaction Pathway | 0 | 0.34 | 2016 |
| Ab initio calculation of anion proton affinity and ionization potential for energetic ionic liquids. | 1 | 0.37 | 2015 |
| Performance and energy efficiency analysis of 64-bit ARM using GAMESS. | 2 | 0.38 | 2015 |
| Shared-memory parallelization of a local correlation multi-reference CI program. | 0 | 0.34 | 2014 |
| Abstract: Towards Highly Accurate Large-Scale Ab Initio Calculations Using Fragment Molecular Orbital Method in GAMESS | 0 | 0.34 | 2012 |
| COMET: code offload by migrating execution transparently | 149 | 5.53 | 2012 |
| ADEL: an automatic detector of energy leaks for smartphone applications | 35 | 1.31 | 2012 |
| Mixed-precision evaluation of two-electron integrals by Rys quadrature. | 3 | 0.59 | 2012 |
| Poster: Towards Highly Accurate Large-Scale Ab Initio Calculations Using Fragment Molecular Method in GAMESS | 0 | 0.34 | 2012 |
| Energy gradients in combined fragment molecular orbital and polarizable continuum model (FMO/PCM) calculation. | 2 | 0.44 | 2010 |
| Enhancing adaptive middleware for quantum chemistry applications with a database framework | 2 | 0.39 | 2010 |
| Development of high performance scientific components for interoperability of computing packages | 0 | 0.34 | 2009 |
| Adaptive Application Composition in Quantum Chemistry | 1 | 0.37 | 2009 |
| Constructing a performance database for large-scale quantum chemistry packages | 0 | 0.34 | 2008 |
| A component approach to collaborative scientific software development: Tools and techniques utilized by the Quantum Chemistry Science Application Partnership | 1 | 0.35 | 2008 |
| Integrating Performance Tools with Large-Scale Scientific Software | 4 | 0.44 | 2007 |
| Electrostatic energy in the effective fragment potential method: Theory and application to benzene dimer. | 3 | 1.07 | 2007 |
| A parallel distributed data CPHF algorithm for analytic Hessians. | 3 | 0.44 | 2007 |
| Coupled cluster algorithms for networks of shared memory parallel processors | 6 | 1.01 | 2007 |
| The polarizable continuum model (PCM) interfaced with the fragment molecular orbital method (FMO). | 11 | 1.12 | 2006 |
| Parallel coupled perturbed CASSCF equations and analytic CASSCF second derivatives. | 0 | 0.34 | 2006 |
| Dynamic Algorithm Selection in Parallel GAMESS Calculations | 3 | 0.46 | 2006 |
| A new hierarchical parallelization scheme: Generalized distributed data interface (GDDI), and an application to the fragment molecular orbital method (FMO). | 33 | 2.77 | 2004 |
| Enabling the Efficient Use of SMP Clusters: The GAMESS/DDI Model | 12 | 0.94 | 2003 |
| Recent advances in QM and QM/MM methods | 2 | 0.38 | 2003 |
| Direct Dynamics Simulations | 1 | 0.71 | 2003 |
| Performance and Implementation of Distributed Data CPHF and SCF Algorithms | 0 | 0.34 | 2002 |
| A distributed data implementation of parallel full CI program | 0 | 0.34 | 2002 |
| New parallel optimal-parameter fast multipole method (OPFMM) | 7 | 1.32 | 2001 |
| Ab initio study of cyclic siloxanes (H2SiO)n: n = 3, 4, 5 | 1 | 0.61 | 1996 |
