List of works - Jeff R. Hammond

Accurate dipole polarizabilities for water clusters n=2–12 at the coupled-cluster level of theory and benchmarking of various density functionals

scientific article published on 01 December 2009

Active-space completely-renormalized equation-of-motion coupled-cluster formalism: Excited-state studies of green fluorescent protein, free-base porphyrin, and oligoporphyrin dimer.

scientific article published in April 2010

Application Experiences on a GPU-Accelerated Arm-based HPC Testbed

scientific article published on 03 February 2023

Calculations of molecular properties in hybrid coupled-cluster and molecular mechanics approach

scientific article published on 05 June 2007

Computational studies of the thermochemistry for conversion of glucose to levulinic acid.

scientific article published on July 2010

Coupled Cluster Theory on Graphics Processing Units I. The Coupled Cluster Doubles Method

scientific article published on 15 April 2011

Coupled cluster calculations for static and dynamic polarizabilities of C60

scientific article published on 01 December 2008

Coupled-cluster dynamic polarizabilities including triple excitations

scientific article published in June 2008

Dynamic polarizabilities of polyaromatic hydrocarbons using coupled-cluster linear response theory

scientific article published in October 2007

Effect of intrinsic and extrinsic factors on the simulated D-band length of type I collagen.

scientific article published on 27 July 2015

Flow-Dependent Unfolding and Refolding of an RNA by Nonequilibrium Umbrella Sampling

scientific article published on 23 August 2011

Linear response coupled cluster singles and doubles approach with modified spectral resolution of the similarity transformed Hamiltonian

scientific article published in October 2007

MPI Application Binary Interface Standardization

scientific article published on 21 September 2023

MPW1K Performs Much Better than B3LYP in DFT Calculations on Reactions that Proceed by Proton-Coupled Electron Transfer (PCET).

scientific article published on January 2006

NWChem: Past, present, and future

scientific article published on 01 May 2020

Parallel computation of coupled-cluster hyperpolarizabilities.

scientific article published in May 2009

Parallel scalability of Hartree-Fock calculations.

scientific article published in March 2015

Rates of venous thromboembolism among patients with major surgery for cancer.

scientific article published on 17 May 2011

Reappraisal of cis effect in 1,2-dihaloethenes: an improved virtual orbital multireference approach.

scientific article

Reconsidering Dispersion Potentials: Reduced Cutoffs in Mesh-Based Ewald Solvers Can Be Faster Than Truncation.