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
Kirill Neklyudov — most-cited papers & profile · AI for Science
← authors
·
overview
Kirill Neklyudov
8
papers ·
23
citations ·
7
h-index
Google Scholar ↗
Semantic Scholar ↗
OpenAlex ↗
Most-cited papers
Efficient Evolutionary Search Over Chemical Space with Large Language Models
2024 · 6 citations
Wasserstein Quantum Monte Carlo: A Novel Approach for Solving the Quantum Many-Body Schrödinger Equation
2023 · 3 citations
Doob's Lagrangian: A Sample-Efficient Variational Approach to Transition Path Sampling
2024 · 2 citations
General Multimodal Protein Design Enables DNA-Encoding of Chemistry
2026 · 1 citations
Self-Refining Training for Amortized Density Functional Theory
2025
Top co-authors
Al\'an Aspuru-Guzik
· 2
Chenru Duan
· 2
Alexander Tong
· 1
Alireza Makhzani
· 1
Avishek Joey Bose
· 1
Carla P. Gomes
· 1
Chao Zhang
· 1
Cheng-Hao Liu
· 1
Cher-Tian Ser
· 1
Cristian Gabellini
· 1
Daniel Roth
· 1
Dominique Beaini
· 1
Topics
Chemistry
Physics ML
Drug Discovery
Protein Science
Materials