The Hidden Cost of Quantum Simulation
Quantum simulations are essential because nature is quantum.
The Matter Blotter
accelerating science, chemistry and materials, quantum computing, artificial intelligence
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Latest episodes
This AI Agent Doesn’t Come With Tools. It Forges and Reuses Them
Meet El Agente Forjador - Agent that forges scientific tools
Inside a Self-Driving Lab for Materials Discovery
A materials scientist’s firsthand experience with the potential of autonomous experimentation
What Quantum Chemistry Teaches Us About Building Research Agents
With El Agente Quntur, we demonstrate that quantum-chemistry agents should be built around reusable research capabilities, rather than a collection of task-specific procedures or skills.
Bulky ligands promote palladium-catalyzed protodeboronation
A story of how a failed organic laser synthesis led us to uncover the mystery of palladium‑catalyzed protodeboronation.
Agentic AI Is Coming to Science—But What Should It Actually Do?
An invitation to scientists to help shape the next generation of El Agente
On rigorous benchmarking for agentic science
Setting the waterline so all boats can rise.
Ranking Models for Bayesian Optimization
In self-driven molecular discovery, when you care about which molecules are best rather than how much better they are, train your Bayesian optimization surrogate to rank candidates instead of predicting exact values.
AI Agents Are Now Running Quantum Experiments. Here’s How
Current AI agents have demonstrated remarkable capabilities in many tasks. But how about conducting research experiments?
The springs and sticks model
A simple system that can learn any function with interesting physics!
HIP: Hessian Interatomic Potentials
Reaction rates, SE(3)-equivariance, and how Hessians improve energies and forces.
Podcast 2: Keep it Simple with Strings!
How string representations with simple language models can represent complex molecular distributions.
Podcast 1. Reacting to inSilico AI's AI-discovered drug trials.
AI-discovered drugs and materials start to deliver in the commercial world.
Revving up this substack
And briefly describing the Acceleration Consortium.
Molecular graph representations and SELFIES: A 100% robust molecular string representation
SELFIES is a new molecular representation with an exciting set of properties and applications.
Standing on the shoulder of giants.
Near-term quantum algorithms can benefit from the power of classical algorithms.
Bits are cheap and qubits expensive.
Making the most of qubits in VQE by basis-set-free methods
Quantum Research Seminars Toronto
Creating an online community for quantum algorithms research.
Materials Acceleration Platforms
Accelerating the discovery of materials.
Designing quantum hardware with quantum computers
Quantum computer-aided design