| no |
title |
author |
magazine |
year |
volume |
issue |
page(s) |
type |
| 1 |
CALYPSO structure prediction method and its wide application
|
Wang, Hui
|
|
2016
|
112 |
PB |
p. 406-415
10 p.
|
article
|
| 2 |
First-principles investigations on the Berry phase effect in spin–orbit coupling materials
|
Feng, Wanxiang
|
|
2016
|
112 |
PB |
p. 428-447
20 p.
|
article
|
| 3 |
First-principles study of two-dimensional van der Waals heterojunctions
|
Hu, Wei
|
|
2016
|
112 |
PB |
p. 518-526
9 p.
|
article
|
| 4 |
IFC
|
|
|
2016
|
112 |
PB |
p. IFC-
1 p.
|
article
|
| 5 |
Large-scale ab initio simulations based on systematically improvable atomic basis
|
Li, Pengfei
|
|
2016
|
112 |
PB |
p. 503-517
15 p.
|
article
|
| 6 |
Microscopic mechanism of spin-order induced improper ferroelectric polarization
|
Wang, P.S.
|
|
2016
|
112 |
PB |
p. 448-458
11 p.
|
article
|
| 7 |
Modeling and simulation of helium behavior in tungsten: A first-principles investigation
|
Zhou, Hong-Bo
|
|
2016
|
112 |
PB |
p. 487-491
5 p.
|
article
|
| 8 |
Orbital physics in transition-metal oxides from first-principles
|
Wu, Hua
|
|
2016
|
112 |
PB |
p. 459-466
8 p.
|
article
|
| 9 |
Preface
|
Gong, Xin-Gao
|
|
2016
|
112 |
PB |
p. 405-
1 p.
|
article
|
| 10 |
Recent advances in computational studies of organometallic sheets: Magnetism, adsorption and catalysis
|
Zhu, Guizhi
|
|
2016
|
112 |
PB |
p. 492-502
11 p.
|
article
|
| 11 |
Recent progresses in real-time local-basis implementation of time dependent density functional theory for electron–nucleus dynamics
|
Ma, Wei
|
|
2016
|
112 |
PB |
p. 478-486
9 p.
|
article
|
| 12 |
Tailoring physical properties of graphene: Effects of hydrogenation, oxidation, and grain boundaries by atomistic simulations
|
Liu, Lizhao
|
|
2016
|
112 |
PB |
p. 527-546
20 p.
|
article
|
| 13 |
The novel electronic and magnetic properties in 5d transition metal oxides system
|
Du, Yongping
|
|
2016
|
112 |
PB |
p. 416-427
12 p.
|
article
|
| 14 |
Theoretical studies of all-electric spintronics utilizing multiferroic and magnetoelectric materials
|
Tong, Wen-Yi
|
|
2016
|
112 |
PB |
p. 467-477
11 p.
|
article
|
Journal description