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Publications by Maximilian Scheurer
VeloxChem: A Python‐driven Density‐functional Theory Program for Spectroscopy Simulations in High‐performance Computing Environments
Wiley Interdisciplinary Reviews: Computational Molecular Science
Biochemistry
Theoretical Chemistry
Materials Chemistry
Computer Science Applications
Computational Mathematics
Physical
PyContact: Rapid, Customizable, and Visual Analysis of Noncovalent Interactions in MD Simulations
Biophysical Journal
Biophysics
Related publications
High-Performance Python for Crystallographic Computing
Journal of Applied Crystallography
Biochemistry
Genetics
Molecular Biology
High-Performance Python for Crystallographic Computing
D2o: A Distributed Data Object for Parallel High-Performance Computing in Python
Journal of Big Data
Information Systems
Computer Networks
Hardware
Communications
Management
Architecture
Screening for High-Performance Piezoelectrics Using High-Throughput Density Functional Theory
Physical Review B
High Performance Development for High End Computing With Python Language Wrapper (PLW)
International Journal of High Performance Computing Applications
Hardware
Theoretical Computer Science
Architecture
Software
GC3Pie: A Python Framework for High-Throughput Computing
Ultra-Nonlocality in Density Functional Theory for Photo-Emission Spectroscopy
Journal of Chemical Physics
Medicine
Theoretical Chemistry
Astronomy
Physics
Physical
Model-Driven Engineering for High-Performance Computing Applications
Dynamic Density Functional Theory and Simulations of Polymer Interfaces
Kobunshi
Materials Science
Polymers
Plastics
Chemical Engineering
Environmental Science
