🔬 SIMPLAIX Workshop: ML for Multiscale Molecular Modeling 🧬
📍 Studio Villa Bosch, Heidelberg
📅 May 2-4, 2023
⏰ Register by March 31
🌟 Speakers: R. Wade, A. Dreuw, F. Gräter, F. Hamprecht, A. Gryn'ova, M. Elstner, P. Friederich, U. Köthe
🔗 https://simplaix-workshop2023.h-its.org/
Join us for an immersive exchange on multiscale simulation & ML in molecular research! #SIMPLAIX #MachineLearning
📍 Studio Villa Bosch, Heidelberg
📅 May 2-4, 2023
⏰ Register by March 31
🌟 Speakers: R. Wade, A. Dreuw, F. Gräter, F. Hamprecht, A. Gryn'ova, M. Elstner, P. Friederich, U. Köthe
🔗 https://simplaix-workshop2023.h-its.org/
Join us for an immersive exchange on multiscale simulation & ML in molecular research! #SIMPLAIX #MachineLearning
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🚨 PhD Position in Machine Learning for Orbital-Free Density Functional Theory 🚨
📍 Heidelberg University, Germany
The Institute for Theoretical Physics (ITP) and the Interdisciplinary Center for Scientific Computing (IWR) invite applications for a PhD position in physics, focusing on orbital-free density functional theory (OF-DFT) using machine-learned functionals.
🔬 Research Focus:
Orbital-free density functional theory offers computational accuracy comparable to coupled-cluster methods but at significantly lower computational cost. Currently, precise density functionals are limited, especially for open-shell systems. This project will implement and extend an existing codebase using machine learning techniques to develop high-quality functionals for open-shell systems.
👩💻 Candidate Profile:
- Background in Physics, Chemistry, or Computer Science
- Familiarity with condensed matter physics or theoretical chemistry
- Strong programming skills (Python, C, and Torch preferred)
- Motivation for collaborative, interdisciplinary research
👥 Supervisors:
- Prof. Maurits W. Haverkort (ITP)
- Prof. Fred Hamprecht (IWR)
📧 Apply by: April 30, 2025
Send applications to:
👉 m.w.haverkort@thphys.uni-heidelberg.de
Don't miss this exciting research opportunity!
#PhD #MachineLearning #Physics #Chemistry #DensityFunctionalTheory #OFDFT #HeidelbergUniversity #ResearchOpportunity
📍 Heidelberg University, Germany
The Institute for Theoretical Physics (ITP) and the Interdisciplinary Center for Scientific Computing (IWR) invite applications for a PhD position in physics, focusing on orbital-free density functional theory (OF-DFT) using machine-learned functionals.
🔬 Research Focus:
Orbital-free density functional theory offers computational accuracy comparable to coupled-cluster methods but at significantly lower computational cost. Currently, precise density functionals are limited, especially for open-shell systems. This project will implement and extend an existing codebase using machine learning techniques to develop high-quality functionals for open-shell systems.
👩💻 Candidate Profile:
- Background in Physics, Chemistry, or Computer Science
- Familiarity with condensed matter physics or theoretical chemistry
- Strong programming skills (Python, C, and Torch preferred)
- Motivation for collaborative, interdisciplinary research
👥 Supervisors:
- Prof. Maurits W. Haverkort (ITP)
- Prof. Fred Hamprecht (IWR)
📧 Apply by: April 30, 2025
Send applications to:
👉 m.w.haverkort@thphys.uni-heidelberg.de
Don't miss this exciting research opportunity!
#PhD #MachineLearning #Physics #Chemistry #DensityFunctionalTheory #OFDFT #HeidelbergUniversity #ResearchOpportunity
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🧪 Job Alert – Machine Learning Scientist at Roche (Basel, Switzerland)
🔗 https://roche.wd3.myworkdayjobs.com/roche-ext/job/Basel/Machine-Learning-Scientist-for-Drug-Discovery_202507-117925-2
Roche is hiring a Machine Learning Scientist to join their Computational Sciences Center of Excellence, focusing on generative ML for large molecule drug discovery 🧠💊.
🎯 Key Responsibilities:
• Apply ML to antibody engineering & de novo macromolecule design
• Use structural biology & biological datasets
• Collaborate across Roche’s global research teams
• Drive publications and internal innovation
🧑🔬 Requirements:
• PhD (or MS + 3y industry) in CS, CompBio, Structural Biology
• Experience with PyTorch, TensorFlow or JAX
• Background in diffusion models, LLMs, protein design
• Strong research record (NeurIPS, ICML, ICLR, etc.)
💼 Full-time position in Basel, Switzerland
#MachineLearning #DrugDiscovery #Roche #DeepLearning #ComputationalBiology #Hiring #AI #ProteinDesign
🔗 https://roche.wd3.myworkdayjobs.com/roche-ext/job/Basel/Machine-Learning-Scientist-for-Drug-Discovery_202507-117925-2
Roche is hiring a Machine Learning Scientist to join their Computational Sciences Center of Excellence, focusing on generative ML for large molecule drug discovery 🧠💊.
🎯 Key Responsibilities:
• Apply ML to antibody engineering & de novo macromolecule design
• Use structural biology & biological datasets
• Collaborate across Roche’s global research teams
• Drive publications and internal innovation
🧑🔬 Requirements:
• PhD (or MS + 3y industry) in CS, CompBio, Structural Biology
• Experience with PyTorch, TensorFlow or JAX
• Background in diffusion models, LLMs, protein design
• Strong research record (NeurIPS, ICML, ICLR, etc.)
💼 Full-time position in Basel, Switzerland
#MachineLearning #DrugDiscovery #Roche #DeepLearning #ComputationalBiology #Hiring #AI #ProteinDesign
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