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@krystofbrezina
Krystof Brezina krystofbrezina
Researcher in the field of chemical physics focusing on path integral and ab initio simulations of dynamics at interfaces and in the condensed phase.

Max Planck Institute for the Structure and Dynamics of Matter Hamburg, Germany

@choderalab
Chodera lab // Memorial Sloan Kettering Cancer Center choderalab

Memorial Sloan-Kettering Cancer Center, Manhattan, NY

@sabia-group
Simulations from Ab Initio Approaches Group sabia-group
Compilation of software developed at the SAbIA group

Max Planck Institute for the Structure and Dynamics of Matter

@GeorgeTrenins
George Trenins GeorgeTrenins

MPSD Hamburg Germany

@mtuckerman
mtuckerman
@DCM-UPB
Dynamics of Condensed Matter @ Paderborn University DCM-UPB
Hosting software projects developed by the research group of Prof. Dr. Thomas Kühne at the Paderborn University.

Paderborn, Germany

@jpoto
Johann Potot. jpoto

CASUS Goerlitz

@ddmms
data-driven materials and molecular science ddmms
data-driven materials and molecular science
@toddhylton
Todd Hylton toddhylton

UC San Diego San Diego CA

@invemichele
Michele Invernizzi invemichele
Computational Scientist - Intrinsically Disordered Proteins, AI for Science

@PeptoneLtd Switzerland

@luigibonati
Luigi Bonati luigibonati
Researcher Atomistic Simulations, IIT, Genoa, Italy >> Machine learning for enhanced sampling simulations <<

Italian Institute of Technology (IIT) Genoa, Italy

@wpena1
Will wpena1
CompChem, Bash , C/C++, Python, Java.
@DeaMariaLeon
Dea María Léon DeaMariaLeon

France

@FBruzzesi
Francesco Bruzzesi FBruzzesi
Data Scientist at HelloFresh. Mathematician at heart. Open source enthusiast.

@HelloFresh Berlin

@MarcoGorelli
Marco Edward Gorelli MarcoGorelli

Quansight Cardiff

@martiniani-lab
Martiniani Lab martiniani-lab

Minneapolis, MN

@timduignan
Tim Duignan timduignan
Researcher at Orbital Materials, working on NNPs for molecular simulation.
@amirabbasasadi
Amirabbas Asadi amirabbasasadi
Independent AI Researcher

Iran

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

University of Oxford

@PhilippHoellmer
PhilippHoellmer
@gcorso
Gabriele Corso gcorso
PhD student @ MIT • Research on Machine Learning and Geometric Representation Learning • Previously intern @ Twitter Research, D.E. Shaw and IBM

MIT

@dmzuckerman
dmzuckerman
@venkatkapil24
Venkat Kapil venkatkapil24
@lab-cosmo
Laboratory of Computational Science and Modeling lab-cosmo

EPFL - STI - Institute of Materials

@ceriottm
Michele Ceriotti ceriottm

EPFL Lausanne - Switzerland

@mahrossi
Mariana Rossi mahrossi

Hamburg

@EurekaLabsAI
EurekaLabsAI
@malbergo
Michael Albergo malbergo
PhD Student at NYU. Harvard '17 Physics/History University of Cambridge '18, MPhil Physics Currently: NYU
@anopsy
Magdalena Kowalczuk anopsy
data & ml fan with a soft spot for OSS

NannyML Amsterdam

@Liu-Group-UF
Liu's Group Liu-Group-UF
Research Group of Mingjie Liu @ UF

United States of America

@JuDFTteam
JuDFTteam JuDFTteam
JuDFTteam is the GitHub home of the quantum materials simulation codes and toolkits developed by the division Quantum Theory of Materials at FZ Jülich.
@lsilen
Leah Silen lsilen
@cohere-ai
cohere.ai cohere-ai

Canada

@MDAnalysis
MDAnalysis MDAnalysis
working with data in the computational molecular sciences

United States of America

@arghyadutta
Arghya Dutta arghyadutta
Assistant professor of physics

SRM University, Andhra Pradesh Amaravati, India

@SinaMostafanejad
Sina Mostafanejad SinaMostafanejad
Lead MolSSI Software Scientist in HPC, ML & AI

The Molecular Sciences Software Institute (@MolSSI) Blacksburg, VA

@whitead
Andrew White whitead

University of Rochester/FutureHouse San Francisco, CA

@karpathy
Andrej karpathy
I like to train Deep Neural Nets on large datasets.

Stanford

@mcancade
Mathieu Cancade mcancade
PhD Student @ ENS de Lyon

ENS de Lyon Lyon

@weisscharlesj
Charles Weiss weisscharlesj
Department of Chemistry & Biochemistry, Augustana University.

Augustana University Sioux Falls, SD, USA

@peastman
Peter Eastman peastman
Software engineer at Stanford University creating tools for molecular simulation and deep learning.

Stanford University

@berend-smit
Berend Smit berend-smit

@lsmo-epfl Switzerland

@UnderstandingMolecularSimulation
UnderstandingMolecularSimulation
@ltalirz
Leopold Talirz ltalirz
I lead Computational Materials Engineering at SCHOTT

SCHOTT AG Mainz, Germany

@weitse-hsu
Wei-Tse Hsu weitse-hsu
Postdoctoral researcher in @bigginlab at University of Oxford. Keen on computational chemistry, biophysics, machine learning, and education.

Oxford

@PabloPiaggi
Pablo Piaggi PabloPiaggi
@mkhorton
Matt Horton mkhorton
Formerly Microsoft Research, Lawrence Berkeley National Laboratory.

Washington

@WernerKrauth
Werner Krauth WernerKrauth

Department of Physics, Ecole normale supérieure Paris, France

@JanBlasius
Jan Blasius JanBlasius
@kirchnerbarbara
kirchnerbarbara