Gavin A McCarver

8PUBLICATIONS
13CO-AUTHORS
Theoretical quantum chemistryComputational methods in fluid flow, heat and mass transfer (incl. computational fluid dynamics)Transport properties and non-equilibrium processesChemical and thermal processes in energy and combustionMain group metal chemistry
Featured researcher

Get your video featured.

JoVEPublish with JoVE
Journal

Publications (8)

|Jul 30, 2026
Sulfur substitution in Fe-MOF-74: implications for electrocatalytic CO2 and CO reduction from an ab initio perspective.

|Jul 09, 2026
Unraveling Thermally Regulated Gating Mechanisms in TPT Pore-Partitioned MOF-74: A Computational Endeavor.

|Sep 29, 2025
Temperature-Regulated Gating Enables Gas Separations in Ultramicroporous Aluminum Formate, ALF.

Hayden A Evans, Taner Yildirim, Gavin A McCarver

|Feb 16, 2024
Hetero-bimetallic paddlewheel complexes for enhanced CO2 reduction selectivity in MOFs: a first principles study.

Gavin A McCarver, Taner Yildirim, Wei Zhou

|Jan 16, 2024
High Accuracy Ab Initio Potential Energy Curves and Dipole Moment Functions for the X1Σ+ and a3Π Spin States of the CF+ Diatomic Molecule.

Gavin A McCarver, Robert J Hinde

|Oct 06, 2023
Catalyst Engineering for the Selective Reduction of CO2 to CH4 : A First-Principles Study on X-MOF-74 (X=Mg, Mn, Fe, Co, Ni, Cu, Zn).

Gavin A McCarver, Taner Yildirim, Wei Zhou

Pageof 2

Frequent Collaborators

4 joint publications

Wei Zhou

3 joint publications

Taner Yildirim

2 joint publications

Konstantinos D Vogiatzis

2 joint publications

Jianbing Jimmy Jiang