Some good new news: The book on zeolites and porous frameworks for which I wrote a chapter on modeling with Bartlomiej Szyja has become open access and can be found here.
Workshop Machine Learning for Coatings: First Machine Learning (day 3)
Workshop Machine Learning for Coatings: Stochos and DGCN (day 4)
Recent Posts
- First-principles investigation of hydrogen-related reactions on (100)–(2×1)∶H diamond surfaces
- Cover Nature Reviews Physics
- Materiomics Chronicles: week 13 & 14
- How to verify the precision of density-functional-theory implementations via reproducible and universal workflows
- Materiomics Chronicles: week 11 & 12
Tags
academia
academic life
AI
artificial intelligence
Bulk modulus
Ceria
compiler
computational materials science
Computational Philosophy
computers
conference
DFT
diamond
Doping
Experiment
fortran
happy scientist
Hirshfeld-I
HIVE-code
HPC
Low Dimensional Physics
machine learning
Materials Science
materiomics
Metal-Organic Frameworks
MIL-47
Object Oriented Programming
PhD thesis 1
PhD thesis 2
phonons
PhysRevB
popular science
Pt Nanowires
publishing
Quantum Chemistry
Rationality
research
science communication
scientific programming
simulation
STM
teaching
theory and experiment
tools
visualisation