Purdue Research Foundation

James Anthony Charles

Tillmann Christoph Kubis

Daniel Alberto Lemus

A method of determining a property of a liquid system, the liquid system including at least one molecule in a solvent, comprises: generating a quantum model of the liquid system, the quantum model including a device region and a lead region, the device region being spherical, paraboloid, cubic or arbitrary in shape and encompassing the at least one molecule and a portion of the solvent of the liquid system, the lead region encompassing a region of the solvent surrounding the device region, determining a first property of the device region by solving a first quantum equation for the device region, determining the first property of the lead region by solving the first quantum equation under open boundary conditions for the lead region, and combining the first property of the device region with the first property of the lead region to arrive at a total first property for the liquid system.

Method of identifying properties of molecules under open boundary conditions

A field-effect transistor (FET) includes a fin, an insulator region, and at least one gate. The fin has a doped first region, a doped second region, and an interior region between the first region and the second region. The interior region is undoped or more lightly doped than the first and second regions. The interior region of the fin is formed as a superlattice of layers of first and second materials alternating vertically. The insulator layer extends around the interior region. The gate is formed on at least a portion of the insulator region. The insulator layer and the gate are configured to generate an inhomogeneous electrostatic potential within the interior region, the inhomogeneous electrostatic potential cooperating with physical properties of the superlattice to cause scattering of charge carriers sufficient to change a quantum property of such charge carriers to change the ability of the charge carriers to move between the first and second materials.

Enhanced cascade field effect transistor

A method of determining a device behavior, wherein the method includes using a first procedure. The first procedure includes discretizing a user specified nano-device structure for at least one quantum method. Additionally, the first procedure includes solving the at least one quantum method, thereby having a solution of the at least one quantum method. Moreover, the first procedure includes extracting a parameter out of the solution of the at least one quantum method. Next, the first procedure includes applying at least one approximate method to the user-specified nano-device structure using the parameter. The first procedure additionally includes solving the at least one approximate method to the user-specified nano-device structure using the parameter. The first procedure also includes extracting the device behavior of the user-specified nano-device structure. Next, the method of determining the device behavior includes iterating the first procedure until a condition is satisfied.

System architecture and methods of determining device behavior

A method of determining at least one property of a liquid system using a modeling system, the liquid system including at least one molecule in a solvent, the modeling system including a processor, comprises generating a quantum model of the liquid system using the processor of the modeling system, the quantum model including a device region and a lead region, the device region being spherical, paraboloid, cubic or arbitrary in shape and encompassing the at least one molecule and a portion of the solvent of the liquid system, the lead region encompassing a region of the solvent surrounding the device region, determining a first property of the device region by solving a first quantum equation for the device region using the processor of the system, determining the first property of the lead region by solving the first quantum equation under open boundary conditions for the lead region using the processor of the system, and combining the first property of the device region with the first property of the lead region to arrive at a total first property for the liquid system using the processor of the system.

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Lafayette, IN, United States of America

James Anthony Charles