49 citations · 92 across the 5 of their papers we have counts for
5 papers
Theory and practice of Trotter product formulas for quantum chemistry
Pablo A. M. Casares, William Maxwell, Danial Motlagh +7
Trotter product formulas are a fundamental class of methods for Hamiltonian simulation, particularly attractive due to their low qubit requirements. However, they are often overloo…
Orb: A Fast, Scalable Neural Network Potential
Mark Neumann, James Gin, Benjamin Rhodes +5
We introduce Orb, a family of universal interatomic potentials for atomistic modelling of materials. Orb models are 3-6 times faster than existing universal potentials, stable unde…
Closed-loop Error Correction Learning Accelerates Experimental Discovery of Thermoelectric Materials
Hitarth Choubisa, Md Azimul Haque, Tong Zhu +4
The exploration of thermoelectric materials is challenging considering the large materials space, combined with added exponential degrees of freedom coming from doping and the dive…
Accelerated chemical space search using a quantum-inspired cluster expansion approach
Hitarth Choubisa, Jehad Abed, Douglas Mendoza +5
To enable the accelerated discovery of materials with desirable properties, it is critical to develop accurate and efficient search algorithms. Quantum annealers and similar quantu…
Interpretable discovery of new semiconductors with machine learning
Hitarth Choubisa, Petar Todorović, Joao M. Pina +5
Machine learning models of materials accelerate discovery compared to ab initio methods: deep learning models now reproduce density functional theory (DFT)-calculated resul…