John M. Herbert

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

Collaborative distances:

• Dijkstra number of five.
• Erdős number of four.

2024

Eliminating Imaginary Vibrational Frequencies in Quantum-Chemical Cluster Models of Enzymatic Active Sites.

Paige E. Bowling, Saswata Dasgupta, John M. Herbert

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.

Adrian F. Morrison, Evgeny Epifanovsky, John M. Herbert

J. Comput. Chem., 2018

2017

Accuracy of finite-difference harmonic frequencies in density functional theory.

Kuan-Yu Liu, Jie Liu, John M. Herbert

J. Comput. Chem., 2017

Standard grids for high-precision integration of modern density functionals: SG-2 and SG-3.

Saswata Dasgupta, John M. Herbert

J. Comput. Chem., 2017

2016

A Network Biology Approach Identifies Molecular Cross-Talk between Normal Prostate Epithelial and Prostate Carcinoma Cells.

Victor Trevino, Alberto Cassese, Zsuzsanna Nagy, Xiaodong Zhuang, John M. Herbert, Philipp Antzack, Kim Clarke, Nicholas Davies, Ayesha Rahman, Moray J. Campbell, Michele Guindani, Roy Bicknell, Marina Vannucci, Francesco Falciani

PLoS Comput. Biol., 2016

2011

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

Tim D. Williams, Nil Turan, Amer M. Diab, Huifeng Wu, Carolynn Mackenzie, Katie L. Bartie, Olga Hrydziuszko, Brett P. Lyons, Grant D. Stentiford, John M. Herbert, Joseph K. Abraham, Ioanna Katsiadaki, Michael J. Leaver, John B. Taggart, Stephen G. George, Mark R. Viant, Kevin J. Chipman, Francesco Falciani

PLoS Comput. Biol., 2011

1998

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

John M. Herbert, Walter C. Ermler

Comput. Chem., 1998