no code implementations • 16 Jan 2024 • Shai Pranesh, Shang Zhu, Venkat Viswanathan, Bharath Ramsundar
Finding accurate solutions to the electronic Schr\"odinger equation plays an important role in discovering important molecular and material energies and characteristics.
no code implementations • 27 Sep 2023 • Advika Vidhyadhiraja, Arun Pa Thiagarajan, Shang Zhu, Venkat Viswanathan, Bharath Ramsundar
Learning exchange correlation functionals, used in quantum chemistry calculations, from data has become increasingly important in recent years, but training such a functional requires sophisticated software infrastructure.
1 code implementation • 21 Aug 2021 • Paul Shen, Michael Herbst, Venkat Viswanathan
We develop theory and software for rotation equivariant operators on scalar and vector fields, with diverse applications in simulation, optimization and machine learning.