Method before marketing
We publish our protocols with every delivery, including the parameters that did not work.
About us
A computational chemistry department you can rent
MD Simulation Hub was founded by four computational scientists who were tired of watching good hypotheses stall behind cluster queues and licence renewals.
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What we stand for
Rigour, access and reproducibility
Compute without procurement
GPU clusters, queue management and licences handled so your grant funds science, not sysadmins.
Access for every budget
Student pricing on small jobs and institutional agreements for high-volume groups.
Distributed and independent
Scientists across four time zones, no vendor ties, no preferred software agenda.
Team
Scientists, not account managers
Dr. Elena Nakamura
Head of Molecular Dynamics
Membrane proteins, enhanced sampling
Dr. Idris Bello
Lead, Quantum Chemistry
Reaction mechanisms, DFT benchmarking
Dr. Petra Lindqvist
Lead, Drug Discovery
Virtual screening, free-energy methods
Dr. Rafael Duarte
Head of Scientific Computing
HPC scheduling, reproducible pipelines