John M. Herbert

Orcid: 0000-0002-1663-2278

According to our database1, John M. Herbert authored at least 7 papers between 1998 and 2024.

Collaborative distances:
  • Dijkstra number2 of five.
  • Erdős number3 of four.

Timeline

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Bibliography

2024
Eliminating Imaginary Vibrational Frequencies in Quantum-Chemical Cluster Models of Enzymatic Active Sites.
J. Chem. Inf. Model., 2024

2018
Double-buffered, heterogeneous CPU + GPU integral digestion algorithm for single-excitation calculations involving a large number of excited states.
J. Comput. Chem., 2018

2017
Accuracy of finite-difference harmonic frequencies in density functional theory.
J. Comput. Chem., 2017

Standard grids for high-precision integration of modern density functionals: SG-2 and SG-3.
J. Comput. Chem., 2017

2016
A Network Biology Approach Identifies Molecular Cross-Talk between Normal Prostate Epithelial and Prostate Carcinoma Cells.
PLoS Comput. Biol., 2016

2011
Towards a System Level Understanding of Non-Model Organisms Sampled from the Environment: A Network Biology Approach.
PLoS Comput. Biol., 2011

1998
Symbolic Implementation of Arbitrary-order Perturbation Theory Using Computer Algebra: Application to Vibrational-Rotational Analysis of Diatomic Molecules.
Comput. Chem., 1998


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