Accelerate materials discovery from years to days through AI, physics-based simulation, and reactor-scale optimization.
Accelerate materials discovery from years to days through AI, physics-based simulation, and reactor-scale optimization.
Decrease the cycle time for catalyst design.
De-risk scale-up for chemical manufacturing.
Decrease the cycle time for catalyst design.
De-risk scale-up for chemical process.
Density Functional Theory
Understand surface structure at the atomic level.
DFT Simulation
Understand surface structure at the atomic level.
Density Functional Theory
Understand surface structure at the atomic level.
Molecular Dynamics
Uncover dynamic molecular interactions.
Molecular Dynamics
Uncover dynamic molecular interactions.
Multi-Physics Simulation
Model transport and reaction process to scale-up.
Multi-Physics
Couple Transport with Kinetics to Scale-up Chemical Process
Multi-Physics Simulation
Model transport and reaction process to scale-up.
Agentic AI Demo
Agentic AI Demo
Collaborate with DeepChemIQ
Collaborate with DeepChemIQ
Meet the scientists and engineers advancing
AI-driven chemical discovery.
Meet the scientists and engineers advancing
AI-driven chemical discovery.
Meet the scientists and engineers advancing
AI-driven chemical discovery.
Dr. Alyssa Hensley
Lead Scientist
Dr. Alyssa Hensley
Lead Scientist
Dr. Alyssa Hensley
Lead Scientist
Dr. Fanglin Che
Founder
Dr. Fanglin Che
Founder
Dr. Jiaqi Yang AI Scientist
Dr. Jiaqi Yang AI Scientist
Dr. Yilang Liu
AI Scientist
Dr. Yilang Liu
AI Scientist
Dr. Yilang Liu
AI Scientist
Dr. Jiaqi Yang
AI Scientist
Dr. Yilang Liu
AI Scientist