activity
20152023
most citedLearning the exchange-correlation functional from nature with fully differentiable density functional theory

102 citations · 650 across the 27 of their papers we have counts for

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Showing 2021Show all

5 papers · 1 filter

cs.LG2021

Reducing the Long Tail Losses in Scientific Emulations with Active Learning

Yi Heng Lim, Muhammad Firmansyah Kasim

Deep-learning-based models are increasingly used to emulate scientific simulations to accelerate scientific research. However, accurate, supervised deep learning models require hug…

physics.plasm-ph2021★ 20 cited

A feasibility study of using X-ray Thomson Scattering to diagnose the in-flight plasma conditions of DT cryogenic implosions

H. Poole, D. Cao, R. Epstein +9

The design of inertial confinement fusion (ICF) ignition targets requires radiation-hydrodynamics simulations with accurate models of the fundamental material properties (i.e., equ…

physics.chem-ph2021★ 52 cited

DQC: a Python program package for Differentiable Quantum Chemistry

Muhammad F. Kasim, Susi Lehtola, Sam M. Vinko

Automatic differentiation represents a paradigm shift in scientific programming, where evaluating both functions and their derivatives is required for most applications. By removin…

physics.acc-ph2021★ 1 cited

Failure modes and downtime of radiotherapy linear accelerators and Multi-Leaf Collimators in Indonesia

Gregory S. Peiris, Supriyanto A. Pawiro, Muhammad F. Kasim +1

The lack of equitable access to radiotherapy linear accelerators (LINACs) is a substantial barrier to cancer care in Low and Middle-Income Countries (LMICs). Aside from the issue o…

physics.chem-ph2021★ 102 cited

Learning the exchange-correlation functional from nature with fully differentiable density functional theory

Muhammad F. Kasim, Sam M. Vinko

Improving the predictive capability of molecular properties in ab initio simulations is essential for advanced material discovery. Despite recent progress making use of machine lea…