C. M. Freeman

Scripps Research Institute — United States

Chemistry · Physical Sciences

30h-index2.8kcitations89works3.02yr avg
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Research Topics

Zeolite Catalysis and Synthesis(21), Machine Learning in Materials Science(14), Catalysis and Oxidation Reactions(11), X-ray Diffraction in Crystallography(11), Semiconductor materials and devices(10)

Publications89 total

Simulation of organic liquid and glass: Results for <i>ortho</i> -terphenyl (OTP) and curve fitting
The Journal of Chemical Physics·2025
Seismic Re-Processing and Interpretation to Reduce Uncertainties in Sean-Inde CCUS Site Characterization
2025
Polymer expert – A software tool for de novo polymer design
Computational Materials Science·2024· 9 citedOpen Access
An ab initio Driven Model for the Trapping and Diffusion of Hydrogen in Fe Cr Ni Alloys
2023Open Access
Elemental Hydrogen Diffusion in fcc-bcc Grain Boundaries
2022Open Access
Gymea and the Fishing Technologies of the New South Wales Coast, Australia
Cambridge Archaeological Journal·2021· 2 citedOpen Access
Vacancy loops in Breakaway Irradiation Growth of zirconium: Insight from atomistic simulations
Journal of Nuclear Materials·2019· 31 cited
Unravelling the Potential of Density Functional Theory through Integrated Computational Environments: Recent Applications of the Vienna Ab Initio Simulation Package in the MedeA® Software
Computation·2018· 8 citedOpen Access
Understanding Irradiation Growth through Atomistic Simulations: Defect Diffusion and Clustering in α-Zirconium and the Influence of Alloying Elements
2018· 1 cited
Software Platforms for Electronic/Atomistic/Mesoscopic Modeling: Status and Perspectives
Integrating materials and manufacturing innovation·2017· 7 cited
Computational Materials Engineering: Recent Applications of VASP in the MedeA® Software Environment
Journal of the Korean Ceramic Society·2016· 25 citedOpen Access
Thermal transport in nanostructured electronic materials: ET/ID: Enabling technologies and innovative devices
2016
Physical modeling - A new paradigm in device simulation
2015· 25 cited
MedeA - An Atomistic Simulation Environment for ICME
26th Advanced Aerospace Materials and Processes (AeroMat) Conference and Exposition (May 11–14, 2015)·2015
Diffusion of point defects, nucleation of dislocation loops, and effect of hydrogen in hcp-Zr: Ab initio and classical simulations
Journal of Nuclear Materials·2015· 71 cited
H in<i>α</i>-Zr and in zirconium hydrides: solubility, effect on dimensional changes, and the role of defects
Journal of Physics Condensed Matter·2014· 72 cited
Thermal expansion, diffusion and melting of Li<sub>2</sub>O using a compact forcefield derived from<i>ab initio</i>molecular dynamics
Modelling and Simulation in Materials Science and Engineering·2014· 10 cited
Effect of Hydrogen on Dimensional Changes of Zirconium and the Influence of Alloying Elements: First-Principles and Classical Simulations of Point Defects, Dislocation Loops, and Hydrides
2014· 16 cited
High-Throughput Calculations of Molecular Properties in the MedeA Environment: Accuracy of PM7 in Predicting Vibrational Frequencies, Ideal Gas Entropies, Heat Capacities, and Gibbs Free Energies of Organic Molecules
Journal of Chemical & Engineering Data·2014· 35 cited
MedeA&lt;sup&gt;&amp;#x00AE;&lt;/sup&gt;: Atomistic simulations for designing and testing materials for micro/nano electronics systems
2014· 3 cited
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Frequent Co-authors

E. Wimmer(14), C. Richard A. Catlow(13), J. M. Newsam(10), Alan M. Gorman(8), Mikael Christensen(7), W. Wolf(7), Paul Saxe(6), R.B. Adamson(5), E. V. Mader(5), S. M. Levine(4), Jörg‐Rüdiger Hill(4), L. Hallstadius(4), H. Niimi(4), J. B. Shaw(4), James J. Chambers(4), S. M. Tomlinson(3), Maurice Leslie(3), Paul E. Cantonwine(3), Christopher L. Hinkle(3), Rohit Galatage(3)