PhD in Computational Chemistry: MD/ML for Macrocycles

**Department of Chemistry** **Open PhD position in computational chemistry 80 %**: Start of employment by agreement, temporary A 4-year PhD student position is available in the Luber group at the Department of Chemistry at University of Zurich (Switzerland). Our group focuses on forefront computational methods at the interface of chemistry, biology,...

ObjectivesCharacterization of the structure‑permeability relationship of macrocycles using molecular dynamics simulations and comparison with NMR dataDevelopment of novel conformation‑ and environment‑dependent 3D descriptors based on the MD simulationsDevelopment and refinement of machine learning models for permeability prediction for...

About Proxima (formerly VantAI):Proxima is building a computational pipeline combining state-of-the-art physics-based modeling and machine learning to revolutionize drug discovery and development. Working together with some of the world's leading biopharmaceutical companies, we design, test, and optimize novel therapies to treat some of the world's most...

About Proxima (formerly VantAI):Proxima combines cutting-edge machine learning with deep systems biology, physics and chemistry expertise to solve the most challenging problems in drug discovery. We specialize in the discovery of compounds and biologics that modulate complex protein-protein interactions, using data-driven modeling approaches. Our machine...

**Department of Chemistry** **PhD in Organic Chemistry feat. Photo - & Redox Chemistry, Protacs 80 %**: Start of employment November 2025 or upon agreement **Your responsibilities**: **Your profile**: - You are a highly motivated, creative, responsible, and ambitious individual with a strong passion for science and a love for challenges. You possess...

PhD Position in Computational Materials Discovery for Extreme Environments100%, Zurich, fixed-termThe Materials Modeling Group (Prof. Malik Wagih), launching February 2026 in the Department of Materials at ETH Zurich, invites applications for PhD positions starting June 2026 or by mutual agreement.We develop computational methods to accelerate materials...

About Proxima (formerly VantAI):Proxima is building a computational pipeline combining state-of-the-art physics-based modeling and machine learning to revolutionize drug discovery and development. Working together with some of the world's leading biopharmaceutical companies, we design, test, and optimize novel therapies to treat some of the world's most...

**About the role**: **What you will be doing as a Data Scientist**: As an expert Data Scientist in computational biology, you will: - Design evaluation protocols and leaderboards to guide continual model improvement and alignment with the needs of various stakeholders. Depending on your level of experience, you will have the opportunity to supervise a team...

Job description Data analysis.  The candidate supports research projects of PhD students and postdocs at the IMB by applying (and/or advising on) appropriate biostatistics and modelling methods for the analysis, integration and visualization of omics data (e.g., genomics, metagenomics, metatranscriptomics, proteomics, metabolomics). Data and IT...

PKPD Lead – AI-Driven Drug DiscoveryLocation:UK or SwitzerlandType:Full-time | On-site HybridSector:Biotech / Computational Drug DiscoveryAn innovative biotech at the forefront of AI-enabled drug design is seeking an experiencedPKPD Leadto drive quantitative pharmacology strategy across biologics and small-molecule programmes. This is a unique opportunity...