The central aim of this PhD project has been to develop methods that can offer fully predictive temperature-dependent mobilities for a wide variety of systems of technical interest and thereby offer ...
We show that quantum time correlation functions including electronically nonadiabatic effects can be computed by using an approach in which their path integral expression is linearized in the ...
A Path Integral Ground State Replica Trick Approach For The Computation Of Entanglement Entropy Of Dipolar Linear Rotors. The Journal of chemical physics 2020, 152, 184113.
ABSTRACT: We present a method for the path integral formulation of electronic structure simulation. The time evolution operator is represented as matrix in a basis consisting of Deslauriers-Dubuc or ...
Abstract: Representing nonlinear dynamical systems using the Koopman Operator and its spectrum has distinct advantages in terms of linear interpretability of the model as well as in analysis and ...
Abstract: Path Integral Strategy Improvement(PI2)-based impedance control is a superior scheme for preventing damage to the physical structure of the fruit during the harvesting process. However, it ...
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