公开(公告)号：US12190028B2

公开(公告)日：2025-01-07

申请号：US16539995

申请日：2019-08-13

Applicant: Purdue Research Foundation

Inventor： Tillmann C Kubis ,  Yuanchen Chu ,  Kuang-Chung Wang

IPC: G06F30/25

Abstract: A software architecture where the software architecture processes a method, wherein the method includes defining initial conditions for a set of Büttiker probes. The set of Büttiker probes include various interaction equations between one or several many-body systems. The method includes computing properties of particles with quantum transport methods. A quantum transport method of the quantum transport methods include a set of Büttiker probes. The particles include the particles of one or several many-body systems. Further, the method includes calculating a current for each Büttiker probe of the set of Büttiker probes. The current includes at least one of momentum current, particle current, energy current, spin current, color charge or chirality current. The method includes setting up a set of continuity equations such that for each continuity equation a calculated current of a Büttiker probe is in a particular relation with an another calculated current of an another Büttiker probe.

公开(公告)号：US20200050960A1

公开(公告)日：2020-02-13

申请号：US16539995

申请日：2019-08-13

Applicant: Purdue Research Foundation

Inventor： Tillmann C Kubis ,  Yuanchen Chu ,  Kuang-Chung Wang

IPC: G06N10/00 ,  G06F17/13

Abstract: A software architecture where the software architecture processes a method, wherein the method includes defining initial conditions for a set of Büttiker probes. The set of Büttiker probes include various interaction equations between one or several many-body systems. The method includes computing properties of particles with quantum transport methods. A quantum transport method of the quantum transport methods include a set of Büttiker probes. The particles include the particles of one or several many-body systems. Further, the method includes calculating a current for each Büttiker probe of the set of Büttiker probes. The current includes at least one of momentum current, particle current, energy current, spin current, color charge or chirality current. The method includes setting up a set of continuity equations such that for each continuity equation a calculated current of a Büttiker probe is in a particular relation with an another calculated current of an another Büttiker probe.

公开(公告)号：US20180373826A1

公开(公告)日：2018-12-27

申请号：US16115459

申请日：2018-08-28

Applicant: Purdue Research Foundation

Inventor： Gerhard Klimeck ,  Mykhailo Povolotskyi ,  Tillmann C Kubis ,  Ganesh Hegde

IPC: G06F17/50

Abstract: A method for modeling a material at least partially-defined by atomic information includes, for each of a plurality of configurations of the material, determining energy moments for a density of states of the respective configuration of the material, and generating a tight binding Hamiltonian matrix for the respective configuration of the material. The method further includes, for each of the plurality of configurations of the material, forming a tight binding model of the configuration of the material by resolving a linking of (i) the energy moments for the density of states of the material to (ii) the tight binding Hamiltonian matrix for the material. Still further the method includes, based on the tight binding models for each of the configurations of the material, forming an environmentally-adapted tight binding model

公开(公告)号：US10311179B2

公开(公告)日：2019-06-04

申请号：US16115459

申请日：2018-08-28

Applicant: Purdue Research Foundation

Inventor： Gerhard Klimeck ,  Mykhailo Povolotskyi ,  Tillmann C Kubis ,  Ganesh Hegde

IPC: G06F17/50

Abstract: A method for modeling a material at least partially-defined by atomic information includes, for each of a plurality of configurations of the material, determining energy moments for a density of states of the respective configuration of the material, and generating a tight binding Hamiltonian matrix for the respective configuration of the material. The method further includes, for each of the plurality of configurations of the material, forming a tight binding model of the configuration of the material by resolving a linking of (i) the energy moments for the density of states of the material to (ii) the tight binding Hamiltonian matrix for the material. Still further the method includes, based on the tight binding models for each of the configurations of the material, forming an environmentally-adapted tight binding model.

公开(公告)号：US10061877B2

公开(公告)日：2018-08-28

申请号：US15859610

申请日：2017-12-31

Applicant: Purdue Research Foundation

Inventor： Gerhard Klimeck ,  Mykhailo Povolotskyi ,  Tillmann C Kubis ,  Ganesh Hegde

IPC: G06F17/10 ,  G06F17/50

CPC classification number: G06F17/5009 ,  G06F2217/16

Abstract: A method for modeling a material at least partially-defined by atomic information includes, for each of a plurality of configurations of the material, determining energy moments for a density of states of the respective configuration of the material, and generating a tight binding Hamiltonian matrix for the respective configuration of the material. The method further includes, for each of the plurality of configurations of the material, forming a tight binding model of the configuration of the material by resolving a linking of (i) the energy moments for the density of states of the material to (ii) the tight binding Hamiltonian matrix for the material. Still further the method includes, based on the tight binding models for each of the configurations of the material, forming an environmentally-adapted tight binding model.