Force matching approaches to extend density functional theory to large time and length scales

RK Lindsey, MP Kroonblawd, LE Fried… - … for Chemistry Under …, 2019 - Springer
We present methods for the creation of semi-empirical quantum approaches and reactive
force fields through force matching to quantum simulation data for materials under reactive …
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Force Matching Approaches to Extend Density Functional Theory to Large

RK Lindsey, MP Kroonblawd, LE Fried… - … for Chemistry Under …, 2019 - books.google.com
We present methods for the creation of semi-empirical quantum approaches and reactive
force fields through force matching to quantum simulation data for materials under reactive …

Force Matching Approaches to Extend Density Functional Theory to Large Time and Length Scales

RK Lindsey, MP Kroonblawd, LE Fried… - … for Chemistry Under …, 2019 - Springer
We present methods for the creation of semi-empirical quantum approaches and reactive
force fields through force matching to quantum simulation data for materials under reactive …