Awesome AI for Science
📄
Papers
🧭
Topics
🔥
Trending
🗺️
Map
🏆
Leaderboards
🎓
Learn
🤖
Ask AI
⋯
More
👥
Authors
📚
Reading Packs
📊
Datasets
🛠️
Tools
📰
News
📝
Blogs
✉️
Newsletter
🎯
Research Radar
🔖
Saved
+ Add Paper
☾
☀
← authors
·
overview
Loading author…
🤖
Ask AI
Kai T\"opfer — most-cited papers & profile · AI for Science
← authors
·
overview
Kai T\"opfer
7
papers ·
16
citations
Google Scholar ↗
Semantic Scholar ↗
OpenAlex ↗
Most-cited papers
Kernel-based Minimal Distributed Charges: A Conformationally Dependent ESP-Model for Molecular Simulations
2024 · 8 citations
Hydration Dynamics and IR Spectroscopy of 4-Fluorophenol
2022 · 6 citations
Structure and Dynamics of Deep Eutectic Systems from Cluster-Optimized Energy Functions
2025 · 2 citations
Design, Assessment, and Application of Machine Learning Potential Energy Surfaces
2025
Cluster Models for Next-Generation, Machine-Learning-Based Energy Functions for Molecular Simulations
2025
Double Proton Transfer in Hydrated Formic Acid Dimer: Interplay of Spatial Symmetry and Solvent-Generated Force on Reactivity
2021
$ıt Asparagus$: A Toolkit for Autonomous, User-Guided Construction of Machine-Learned Potential Energy Surfaces
2024
Top co-authors
and Markus Meuwly
· 3
Markus Meuwly
· 2
Mike Devereux
· 2
Shimoni Patel
· 2
Silvan K\"aser
· 2
Eric Boittier
· 1
Eric D. Boittier
· 1
JingChun Wang
· 1
JingChun Wang
· 1
Kham Lek Chaton
· 1
Luis Itza Vazquez-Salazar
· 1
Markus Meuwly
· 1
Topics
Chemistry
Physics ML
Materials
Protein Science
Drug Discovery