C. Freeman

发表

MedeA®: Atomistic simulations for designing and testing materials for micro/nano electronics systems

V. Eyert, A. France-Lanord, D. Rigby, 2014, 2014 15th International Conference on Thermal, Mechanical and Mulit-Physics Simulation and Experiments in Microelectronics and Microsystems (EuroSimE).

Thermal expansion, diffusion and melting of Li2O using a compact forcefield derived from ab initio molecular dynamics

Paul Saxe, Erich Wimmer, Ryoji Asahi, 2014 .

H in α-Zr and in zirconium hydrides: solubility, effect on dimensional changes, and the role of defects

Bryan M. Wong, L Hallstadius, W. Wolf, 2015, Journal of physics. Condensed matter : an Institute of Physics journal.

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

W. Wolf, C. Freeman, E. Wimmer, 2015 .

Effect of alloying elements on the properties of Zr and the Zr–H system

E. Wimmer, W. Wolf, C. Freeman, 2014 .

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

Philippe Ungerer, James J. P. Stewart, X. Rozanska, 2014 .

Unravelling the Potential of Density Functional Theory through Integrated Computational Environments: Recent Applications of the Vienna Ab Initio Simulation Package in the MedeA® Software

David Reith, Walter Wolf, Erich Wimmer, 2018, Comput..

Thermal transport in nanostructured electronic materials: ET/ID: Enabling technologies and innovative devices

V. Eyert, A. France-Lanord, A. Mavromaras, 2016, 2016 27th Annual SEMI Advanced Semiconductor Manufacturing Conference (ASMC).

Computational Prediction of Mechanical Properties of Glassy Polymer Blends and Thermosets

B. Leblanc, D. Rigby, P. Saxe, 2014 .

Software Platforms for Electronic/Atomistic/Mesoscopic Modeling: Status and Perspectives

David Reith, Philippe Ungerer, Tzu-Ray Shan, 2017, Integrating Materials and Manufacturing Innovation.

Formation of nickel-platinum silicides on a silicon substrate: Structure, phase stability, and diffusion from ab initio computations

A. Jain, V. Eyert, J. Blatchford, 2013, 1308.2605.

Computational Materials Engineering: Recent Applications of VASP in the MedeA ® Software Environment

David Reith, Walter Wolf, M. Christensen, 2016 .

Diffusion of point defects, nucleation of dislocation loops, and effect of hydrogen in hcp-Zr: Ab initio and classical simulations

E. Wimmer, W. Wolf, C. Freeman, 2015 .

Interfacial oxygen and nitrogen induced dipole formation and vacancy passivation for increased effective work functions in TiN/HfO2 gate stacks

R. Chapman, E. Vogel, R. Galatage, 2010 .

Computational materials engineering: Capabilities of atomic-scale prediction of mechanical, thermal, and electrical properties of microelectronic materials

M. Halls, W. Wolf, D. Rigby, 2010, 2010 11th International Thermal, Mechanical & Multi-Physics Simulation, and Experiments in Microelectronics and Microsystems (EuroSimE).

Atomistic Simulations of Microelectronic Materials: Prediction of Mechanical, Thermal, and Electrical Properties

M. Halls, V. Eyert, W. Wolf, 2012 .

Ab initio calculations for industrial materials engineering: successes and challenges

J. Vollmer, H. Niimi, W. Wolf, 2010, Journal of physics. Condensed matter : an Institute of Physics journal.

Vacancy loops in Breakaway Irradiation Growth of zirconium: Insight from atomistic simulations

W. Wolf, C. Freeman, E. Wimmer, 2020 .

Physical modeling - A new paradigm in device simulation

C. Kernstock, O. Baumgartner, E. Wimmer, 2015, 2015 IEEE International Electron Devices Meeting (IEDM).