Search research articles

ABOUT JoVE

Overview Leadership Blog JoVE Help Center

AUTHORS

Publishing Process Editorial Board Scope & Policies Peer Review FAQ Submit

LIBRARIANS

Testimonials Subscriptions Access Resources Library Advisory Board FAQ

RESEARCH

JoVE Journal Methods Collections JoVE Encyclopedia of Experiments Archive

EDUCATION

JoVE Core JoVE Business JoVE Science Education JoVE Lab Manual Faculty Resource Center Faculty Site

Terms & Conditions of Use

Shane M Parker

3PUBLICATIONS

34CO-AUTHORS

Numerical solution of differential and integral equationsStatistical mechanics in chemistryFormal methods for software

Featured researcher

Get your video featured.

Publish with JoVE

Featured researcher

Get your video featured.

Publish with JoVE

Publications (3)

Sort by Publication Date:

|Dec 02, 2021

Accelerating molecular property calculations with semiempirical preconditioning.

Zehao Zhou, Shane M Parker

|Nov 10, 2020

Surface hopping with cumulative probabilities: Even sampling and improved reproducibility.

Shane M Parker, Colin J Schiltz

|May 17, 2020

TURBOMOLE: Modular program suite for ab initio quantum-chemical and condensed-matter simulations.

Sree Ganesh Balasubramani, Guo P Chen, Sonia Coriani

Pageof 1

Frequent Collaborators

1 joint publications

Sree Ganesh Balasubramani

1 joint publications

Guo P Chen

1 joint publications

Sonia Coriani

1 joint publications

Michael Diedenhofen

1 joint publications

Marius S Frank

1 joint publications

Yannick J Franzke

1 joint publications

Filipp Furche

1 joint publications

Robin Grotjahn

1 joint publications

Michael E Harding

1 joint publications

Christof Hättig

Frequent Collaborators

1 joint publications

Sree Ganesh Balasubramani

1 joint publications

Guo P Chen

1 joint publications

Sonia Coriani

1 joint publications

Michael Diedenhofen

Top Related Videos

Computation of Atmospheric Concentrations of Molecular Clusters from <em>ab initio</em> Thermochemistry

Computation of Atmospheric Concentrations of Molecular Clusters from <em>ab initio</em> Thermochemistry

Published on : Apr 08, 2020

Automated, Quantitative Cognitive/Behavioral Screening of Mice: For Genetics, Pharmacology, Animal Cognition and Undergraduate Instruction

Automated, Quantitative Cognitive/Behavioral Screening of Mice: For Genetics, Pharmacology, Animal Cognition and Undergraduate Instruction

Published on : Feb 26, 2014

Analyzing Melts and Fluids from Ab Initio Molecular Dynamics Simulations with the UMD Package

Analyzing Melts and Fluids from Ab Initio Molecular Dynamics Simulations with the UMD Package

Published on : Sep 17, 2021

See more related videos

Top Related Videos

Computation of Atmospheric Concentrations of Molecular Clusters from <em>ab initio</em> Thermochemistry

Computation of Atmospheric Concentrations of Molecular Clusters from <em>ab initio</em> Thermochemistry

Published on : Apr 08, 2020

Automated, Quantitative Cognitive/Behavioral Screening of Mice: For Genetics, Pharmacology, Animal Cognition and Undergraduate Instruction

Automated, Quantitative Cognitive/Behavioral Screening of Mice: For Genetics, Pharmacology, Animal Cognition and Undergraduate Instruction

Published on : Feb 26, 2014

Analyzing Melts and Fluids from Ab Initio Molecular Dynamics Simulations with the UMD Package

Analyzing Melts and Fluids from Ab Initio Molecular Dynamics Simulations with the UMD Package

Published on : Sep 17, 2021

See more related videos