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@zyumse
Zheng Yu zyumse
@whoisryosuke
Ryosuke whoisryosuke
Sr. Design Technologist @ PlayStation

PlayStation San Francisco, CA

@ClaudioZeni
Claudio Zeni ClaudioZeni
Senior Researcher at Microsoft Research Cambridge. Working on machine learning for materials science.

Microsoft Research Cambridge

@ifilot
Ivo Filot ifilot
👋 Hello! Theoretical & computational chemist 🧪 working in heterogeneous catalysis and retro 👾 computer hobbyist.

Eindhoven University of Technology Eindhoven, The Netherlands

@mizu-bai
mizu-bai mizu-bai
Theoretical Chemistry Ph. D. Student & AI for Chemistry Researcher

Chongqing University Chongqing, China

@Cloudac7
Futaki Haduki Cloudac7
星咲高校地学部

Smartlogic Tech Shanghai, China

@Andrew-S-Rosen
Andrew S. Rosen Andrew-S-Rosen
Assistant Professor of Chemical & Biological Engineering at Princeton University. Leading the @Quantum-Accelerators.

Princeton University Princeton, NJ

@JingshanDu
Jingshan S. Du JingshanDu
Staff Scientist @ PNNL ―――――――――――――      Note: Programs published here are my own and not associated with my institution unless explicitly stated.

Pacific Northwest National Laboratory Richland, WA

@rwexler
Robert Wexler rwexler
Assistant Professor of Chemistry and developer of (mostly) Python code for simulations of materials.

Washington University in St. Louis St. Louis, MO

@PabloPiaggi
Pablo Piaggi PabloPiaggi
@taehun0530
taehun0530
@Astolfo-Official
Astolfo-Official
A vegetable chicken struggling with English, Math, Physics, Computer Science and track.
@sede-x
sede-x sede-x

2596 HR The Hague, The Netherlands

@Yi-FanLi
Yifan Li李一帆 Yi-FanLi
PhD Candidate in Chemistry, Princeton University

Princeton, NJ, USA

@MorrowChem
Joe Morrow MorrowChem
Computational materials chemist applying machine learning to understand complex structures. Opentrack dev and distance running enthusiast

Cusp AI Oxford

@Xiaoyan-Fu
Xiaoyan-Fu
@aronwalsh
Aron Walsh aronwalsh
Professor @ImperialCollegeLondon | Chief Scientific Officer @Cusp-AI

@WMD-group

@jla-gardner
John Gardner jla-gardner
DPhil Student using Machine Learning to perform accurate, atomistic simulations of molecules and materials.

University of Oxford

@juerghutter
Juerg Hutter juerghutter

University of Zurich

@cschran
Christoph Schran cschran
Computational chemist interested in water and machine learning potentials.

University of Cambridge Cambridge, UK

@QijingZheng
郑奇靖 QijingZheng

University of Science and Technology of China Hefei, China

@Ryan-Rhys
Ryan-Rhys Griffiths Ryan-Rhys
Ex Meta | Ex MILA | Ex Huawei Noah's Ark Lab | PhD - Machine Learning and Physics @ Cambridge University |

San Francisco

@Xiangwen-Wang
Xiangwen Xiangwen-Wang
@stenczelt
Tamas Stenczel stenczelt
Research Collaborator in Machine Learning modelling of materials @ University of Cambridge

Cambridge, UK

@gabor1
Prof. Gabor Csanyi gabor1
Gabor Csanyi is Professor of Molecular Modelling in the Engineering Laboratory at the University of Cambridge

University of Cambridge Cambridge

@awvwgk
Sebastian Ehlert awvwgk
Theoretical chemist, computational chemistry researcher, developing quantum chemistry in Fortran, Python and C++, packaging scientific software.

Microsoft Research, AI for Science Germany

@liuyxpp
Yi-Xin Liu liuyxpp
Assoicate Professor@Fudan University. Research interests: computational physics, numerical algorithms, polymer physics.

Fudan University Shanghai, China (permanent)

@scanlond
David Scanlon scanlond
Professor of Computational Materials Design at the Department of Chemistry in University College London (UCL). Leads the Materials Theory Group.

@SMTG-UCL London, UK

@jeanwsr
Shirong Wang jeanwsr
Quantum Chemistry Programmer

Fudan University Shanghai

@longkunxuluke
mortlock_19 longkunxuluke

Samsung Beijing

@xfwangxf
xfwangxf
@lamian42
Hu_Group_SHTech lamian42
Prof. Peijun Hu's research group@ShanghaiTech University
@zhangylch
zhangyaolong zhangylch
@qiangwan1994
qiangwan1994
@kyonofx
Xiang kyonofx

San Francisco, CA

@savya10
Savya Aggarwal savya10
PhD Student in @SMTG-Bham, applying ML in defect chemistry applications (based in UCL/Singapore)

@SMTG-Bham @Kedar-Materials-by-Design-Lab London/Singapore

@singularitti
Qi Zhang singularitti
Postdoc in computational physics / materials science, Julia language enthusiast

Oden Institute for Computational Engineering and Sciences, The University of Texas at Austin Austin, TX

@St-Maxwell
St Maxwell St-Maxwell
Theoretical chemist; PhD@Xiamen University; Using Modern C++ and Fortran.

Xiamen University Xiamen, China

@Eipgen
Xiao Jin Eipgen
AI4Chem, DFT, SQM, Drug PhD@ECNU in Theo.&Comput. Chemistry

East China Normal University @ecnu ShangHai

@Edward2017
Duorou Edward2017
对于计算化学、界面反应了解的很有限
@Linux-cpp-lisp
Albert Linux-cpp-lisp

@mir-group @ Harvard University

@qzhu2017
Qiang Zhu qzhu2017
Associate Professor at University of North Carolina at Charlotte (UNCC)

Charlotte

@lan496
Kohei Shinohara lan496
Scientific software developer interested in solving materials-science problems with first-principles calculations and algorithm design

Preferred Networks, Inc. Tokyo, Japan

@alexsquires
Alex Squires alexsquires
Group leader in @SMTG-Bham working on defects and disorder in energy materials

UK

@sunchong137
Chong Sun sunchong137
When awake: experimentalist with numerical apparatus. When asleep: thinker.

Rutgers University-New Brunswick

@muhrin
Martin Uhrin muhrin
Hi! I'm a computational physicist based in France. Currently I'm working on creating generative models for inverse design of materials and molecule

Grenoble, France

@jonpvandermause
Jonathan Vandermause jonpvandermause

D. E. Shaw Research New York

@Chengcheng-Xiao
Chengcheng Xiao Chengcheng-Xiao
Postdoctoral researcher @ Imperial College London. Predicting how electrons move since 2016.

Imperial College London London, United Kingdom

@chazeon
Chenxing Luo chazeon
Ph.D. researcher focusing on atomistic simulation for systems under high pressure and temperature, member of @MineralsCloud at @columbia

Columbia University New York, NY

@shuozhixu
Shuozhi Xu shuozhixu
I am an Assistant Professor in the School of Aerospace and Mechanical Engineering at the University of Oklahoma

University of Oklahoma Norman