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

Gregory Schenter

7PUBLICATIONS

30CO-AUTHORS

Computational chemistryReaction kinetics and dynamicsCondensed matter characterisation technique developmentMicrofluidics and nanofluidicsStatistical mechanics in chemistry

Featured researcher

Get your video featured.

Publish with JoVE

Featured researcher

Get your video featured.

Publish with JoVE

Publications (7)

Sort by Publication Date:

|Mar 09, 2021

CP2K: An electronic structure and molecular dynamics software package - Quickstep: Efficient and accurate electronic structure calculations.

Thomas D Kühne, Marcella Iannuzzi, Mauro Del Ben

|Jul 17, 2020

Solvent reaction coordinate for an S<sub>N</sub>2 reaction.

Christian Leitold, Christopher J Mundy, Marcel D Baer

|Apr 10, 2020

Al27 NMR chemical shift of Al(OH)<sub>4</sub> <sup>-</sup> calculated from first principles: Assessment of error cancellation in chemically distinct reference and target systems.

Ernesto Martinez-Baez, Rulin Feng, Carolyn I Pearce

|Jun 03, 2019

Effect of fine-tuning pore structures on the dynamics of confined water.

A I Kolesnikov, L M Anovitz, F C Hawthorne

|Apr 08, 2019

PageRank as a collective variable to study complex chemical transformations and their energy landscapes.

Tiecheng Zhou, Ernesto Martinez-Baez, Gregory Schenter

|Oct 04, 2018

Unraveling the spectral signatures of solvent ordering in K-edge XANES of aqueous Na<sup></sup>.

M Galib, G K Schenter, C J Mundy

Pageof 2

Frequent Collaborators

3 joint publications

Christopher J Mundy

2 joint publications

Ernesto Martinez-Baez

2 joint publications

Aurora E Clark

1 joint publications

N Govind

1 joint publications

A I Kolesnikov

1 joint publications

L M Anovitz

1 joint publications

F C Hawthorne

1 joint publications

A Podlesnyak

1 joint publications

Carolyn I Pearce

1 joint publications

Christian Leitold

Frequent Collaborators

3 joint publications

Christopher J Mundy

2 joint publications

Ernesto Martinez-Baez

2 joint publications

Aurora E Clark

1 joint publications

N Govind

Top Related Videos

Rapid <em>in-silico</em> Battery Electrolyte Electrochemical Reaction Generation using 3T-VASP Multi-Scale Energy Minimization

Rapid <em>in-silico</em> Battery Electrolyte Electrochemical Reaction Generation using 3T-VASP Multi-Scale Energy Minimization

Published on : Aug 22, 2025

Efficient Synthesis of All-Carbon Quaternary Centers via the Conjugate Addition of Functionalized Monoorganozinc Bromides

Efficient Synthesis of All-Carbon Quaternary Centers via the Conjugate Addition of Functionalized Monoorganozinc Bromides

Published on : May 26, 2019

Atomic Scale Structural Studies of Macromolecular Assemblies by Solid-state Nuclear Magnetic Resonance Spectroscopy

Atomic Scale Structural Studies of Macromolecular Assemblies by Solid-state Nuclear Magnetic Resonance Spectroscopy

Published on : Sep 17, 2017

See more related videos

Top Related Videos

Rapid <em>in-silico</em> Battery Electrolyte Electrochemical Reaction Generation using 3T-VASP Multi-Scale Energy Minimization

Rapid <em>in-silico</em> Battery Electrolyte Electrochemical Reaction Generation using 3T-VASP Multi-Scale Energy Minimization

Published on : Aug 22, 2025

Efficient Synthesis of All-Carbon Quaternary Centers via the Conjugate Addition of Functionalized Monoorganozinc Bromides

Efficient Synthesis of All-Carbon Quaternary Centers via the Conjugate Addition of Functionalized Monoorganozinc Bromides

Published on : May 26, 2019

Atomic Scale Structural Studies of Macromolecular Assemblies by Solid-state Nuclear Magnetic Resonance Spectroscopy

Atomic Scale Structural Studies of Macromolecular Assemblies by Solid-state Nuclear Magnetic Resonance Spectroscopy

Published on : Sep 17, 2017

See more related videos