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Shaun Han
  • Member for 3 years, 6 months
  • Last seen more than a week ago
  • Lyngby, Denmark
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About

Currently working at BASF on machine learning for chemistry. I develop algorithms and machine learning models to accelerate the discovery of new energy materials. I am the developer of the Python package Alloy Catalysis Automated Toolkit (ACAT). I know everything about ASE.

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Top posts
question
4
Multi-kernel Gaussian Process model?
Jul 25, 2021
question
3
What is the most suitable kernel for categorical features?
Jul 27, 2021
question
1
How to solve this type of multi-task Bayesian optimization problem?
Jul 10, 2022
Top network posts
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172
Understand Python swapping: why is a, b = b, a not always equivalent to b, a = a, b?
16
Fastest way to sample most numbers with minimum difference larger than a value from a Python list
16
Numpyic way to sort an ndarray clockwise?
11
Topology-matching algorithm for finding 2D lattice in a 3D lattice
10
"Pythonic" way to return elements from an iterable as long as a condition based on previous element is true