2018 CHPC National Conference

Session

2 Dec 2018, 09:00

Century City Convention Centre

Conveners

High-throughput, atomistic multi-scale modeling with MedeA®

• Alexander Mavromaras (Materials Design Sarl)

High-throughput, atomistic multi-scale modeling with MedeA®

• There are no conveners in this block

High-throughput, atomistic multi-scale modeling with MedeA®

• There are no conveners in this block

High-throughput, atomistic multi-scale modeling with MedeA®

• There are no conveners in this block

Contribution list Timetable

119. High-throughput, atomistic multi-scale modeling with MedeA®-Universal Cluster Expansion (UNCLE) to study alloy structures, phase-stability and ordering

Dr David Reith (Materials Design Sarl), Dr Clifton Masedi (University of Limpopo), Dr Malatji Kemerdige (University of Limpopo), Dr Alexander Mavromaras (Materials Design Sarl)

02/12/2018, 09:00

Workshops

Workshop/BoF proposal

Description:
MedeA-UNiversal CLuster Expansion (UNCLE) expands access to materials and properties at the meso and micro scales. Performing VASP ab-initio calculations on automatically chosen sets of small models, MedeA-UNCLE captures the configurational complexity of real materials at different temperatures by means of Monte Carlo random sampling. Tight integration with job control in MedeA...

207. High-throughput, atomistic multi-scale modeling with MedeA®-Universal Cluster Expansion (UNCLE) to study alloy structures, phase-stability and ordering

Dr David Reith (Materials Design Sarl), Dr Clifton Masedi (University of Limpopo), Dr Malatji Kemerdige (University of Limpopo), Dr Alexander Mavromaras (Materials Design Sarl)

02/12/2018, 11:00

Workshop/BoF proposal

Description:
MedeA-UNiversal CLuster Expansion (UNCLE) expands access to materials and properties at the meso and micro scales. Performing VASP ab-initio calculations on automatically chosen sets of small models, MedeA-UNCLE captures the configurational complexity of real materials at different temperatures by means of Monte Carlo random sampling. Tight integration with job control in MedeA...

208. High-throughput, atomistic multi-scale modeling with MedeA®-Universal Cluster Expansion (UNCLE) to study alloy structures, phase-stability and ordering

Dr David Reith (Materials Design Sarl), Dr Clifton Masedi (University of Limpopo), Dr Malatji Kemerdige (University of Limpopo), Dr Alexander Mavromaras (Materials Design Sarl)

02/12/2018, 13:30

Workshop/BoF proposal

Description:
MedeA-UNiversal CLuster Expansion (UNCLE) expands access to materials and properties at the meso and micro scales. Performing VASP ab-initio calculations on automatically chosen sets of small models, MedeA-UNCLE captures the configurational complexity of real materials at different temperatures by means of Monte Carlo random sampling. Tight integration with job control in MedeA...

209. High-throughput, atomistic multi-scale modeling with MedeA®-Universal Cluster Expansion (UNCLE) to study alloy structures, phase-stability and ordering

Dr David Reith (Materials Design Sarl), Dr Clifton Masedi (University of Limpopo), Dr Malatji Kemerdige (University of Limpopo), Dr Alexander Mavromaras (Materials Design Sarl)

02/12/2018, 15:30

Workshop/BoF proposal

Description:
MedeA-UNiversal CLuster Expansion (UNCLE) expands access to materials and properties at the meso and micro scales. Performing VASP ab-initio calculations on automatically chosen sets of small models, MedeA-UNCLE captures the configurational complexity of real materials at different temperatures by means of Monte Carlo random sampling. Tight integration with job control in MedeA...