This repository has been archived by the owner on Feb 13, 2025. It is now read-only.
-
Notifications
You must be signed in to change notification settings - Fork 0
/
Copy paththesis.tex
114 lines (100 loc) · 3.9 KB
/
thesis.tex
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77
78
79
80
81
82
83
84
85
86
87
88
89
90
91
92
93
94
95
96
97
98
99
100
101
102
103
104
105
106
107
108
109
110
111
112
113
114
\let\pdfcreationdate=\creationdate
\documentclass[12pt]{rutgersthesis}
% preamble
\usepackage{amsmath}
\usepackage{graphicx}
\usepackage{multirow}
\usepackage{bm}
\usepackage{rotating}
\usepackage{longtable}
\usepackage{ragged2e}
\usepackage[T1]{fontenc}
\usepackage{txfonts}
\usepackage{xr}
\usepackage{luatex85}
%\usepackage[a-1b]{pdfx}
\usepackage[utf8]{inputenc}
\usepackage{amsfonts}
\usepackage{amssymb}
\usepackage{listings}
\usepackage{xfp}
\usepackage{hyperref}
\usepackage[version=3]{mhchem}
\usepackage{wasysym} % CIRCLE
%\usepackage{MnSymbol} % square, triangleright
\DeclareMathAlphabet\mathbfcal{OMS}{cmsy}{b}{n}
\DeclareCiteCommand{\citenum}
{}
{\printfield{labelnumber}}
{\multicitedelim}
{}
\usepackage{siunitx}
\newcommand{\float}[1]{\num[round-mode=figures,round-precision=3]{\fpeval{#1}}}
\newcommand{\floatk}[1]{\num[round-mode=figures,round-precision=3]{\fpeval{#1 * 1000}}}
\newcommand{\floatm}[1]{\num[round-mode=figures,round-precision=3]{\fpeval{#1 * 1000000}}}
\newcommand{\floatp}[1]{\num[round-mode=places,round-precision=1]{\fpeval{#1 * 1000}}}
\newcommand{\natomswater}[1]{\num[round-mode=places,round-precision=0]{\fpeval{#1 * 192 / 1000}}}
\newcommand{\natomscopper}[1]{\num[round-mode=places,round-precision=0]{\fpeval{#1 * 108 / 1000}}}
\newcommand{\natomshea}[1]{\num[round-mode=places,round-precision=0]{\fpeval{#1 * 432 / 1000}}}
\newcommand{\add}[1]{#1}%
\newcommand{\del}[1]{}%
\newcommand{\chimes}{ChIMES}
\newcommand{\wbx}{$\omega$B97X/6-31G*}
\newcommand{\qdp}{QD$\pi$}
\newcommand{\modelname}{\qdp}
\newcommand{\longminus}{\rule[0.5ex]{18pt}{1.5pt}}
\newcommand\cH{\raisebox{-0.16mm}{\scalebox{1.15}{$\blacksquare$}}}
\newcommand\cW{{\scalebox{1.0}{$\CIRCLE$}}}
\newcommand{\cHW}{${\cH\hspace{-7pt}\longminus\hspace{-8.0pt}\cW\hspace{1pt}}$}
\newcommand{\cWH}{${\cW\hspace{-7pt}\longminus\hspace{-8.0pt}\cH\hspace{1pt}}$}
\newcommand{\cWW}{$\longminus\hspace{-13.5pt}\cW\hspace{2pt}$}
\newcommand{\mae}{maE}
\newcommand{\rmse}{rmsE}
\errorcontextlines=3
% Make sure your LaTeX files are put under the root of your work directory. They should not be in a subfolder!
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
% Your information here
% !IMPORTANT!
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
\newcommand{\thesisType}{Dissertation} % Dissertation for PhD and Thesis for Master
\newcommand{\thesisTitle}{Development of Machine Learning Potentials for Biochemical Systems} % your thesis/dissertation title, e.g., How to Write A Thesis
\newcommand{\yourName}{Jinzhe Zeng} % your name, e.g., Tim Cook
\newcommand{\yourDegree}{Doctor of Philosophy} % your degree to be obtained, e.g., Master of Science, Doctor of Philosophy
\newcommand{\yourProgram}{Chemistry} %insert your graduate program’s official name
\newcommand{\yourDirectorTitle}{Prof.} % the title of your thesis director
\newcommand{\yourDirector}{Darrin M. York} % your thesis director name here, his/her title not included
\newcommand{\yourCommitteeNumber}{4} % IMPORTANT! the number of the committee members for your defense
\newcommand{\yourMonth}{Jan} % your graduation month, not your defense month
\newcommand{\yourYear}{2025} % your graduation year
\bibliography{references,tmplib}
% document body
\begin{document}
% \doublespacing %set line spacing
\input{copyright}
\makeTitlePage{Month}{Year}
\begin{frontmatter}
\input{abstract}
\input{acknowledgments}
\input{publications.tex}
\makeDedication{To DeepModeling open-source community}
\makeTOC
\makeListOfTables
\makeListOfFigures
%\input{abbrevs}
\end{frontmatter}
\begin{thesisbody}
\input{chapters/introduction}
\input{chapters/background}
\input{chapters/dprc}
\input{chapters/qdpv1}
\input{chapters/semiempirical}
\input{chapters/deepmd-kit}
\input{chapters/dataset}
\input{chapters/gnn}
\makeBibliography
\begin{theappendices}
\input{chapters/dprc-si}
\input{chapters/qdpv1-si}
\end{theappendices}
\end{thesisbody}
\end{document}