Computational Materials Physics

1. Introduction

Computational Materials Physics Research Group (CMP) is a research group funded by Ton Duc Thang University. Computer simulation can provide detailed information of structure and various properties of materials at atomistic scale. Simulation of materials can be conducted by both classical and quantum methods and main methods used in our group are classical molecular dynamics (MD) and density functional theory (DFT). In our group, we employ both MD and DFT methods in order to study atomic/electronic structure and various behaviors of materials including liquid and amorphous materials, nanomaterials, quasicrystals and monoatomic layer materials (graphene, silicene …).

2. Mission and vision

• Organization a strong research group in the field of computational materials physics attracting students and scientists from not only Vietnam but also from other countries to conduct research together at Ton Duc Thang University (TDTU).

• Providing contributions to establishing of Institute of Physics at TDTU in order to promote research and training in various fields of physics.

• Launching computational physics training programs for BSc., MSc. and PhD levels at TDTU.

• Organization of various international workshops/conference at TDTU.

3. Research topics

• Phase transitions: glass transition, crystallization, melting, graphenization, silicenization …

• Structure, thermodynamics and phase transitions in thin films and nanoparticles.

• Freezing/melting of simple monatomic systems at nanoscale and in the bulk counterparts.

• Water-semiconductor interface, surface structure and properties of amorphous semiconductors.

• Simulations of supercooled and glassy water, melting of ice etc.

• Phase transitions in simple monatomic 2D systems.

• Atomic mechanism of graphenization and silicenization of 2D liquids.

• Structural defects of amorphous and crystalline 2D materials (grapheme, silicene, …) obtained by cooling from the melts.

• Surface energy, hydration effect.

4. Current members

CMP Vo Van Hoang

Dr. Vo Van Hoang

Positions:

• Head of Computational Materials Physics Research Group, Ton Duc Thang University, Ho Chi Minh City, Vietnam

• Full Professor in Physics

Areas of expertise: Computer simulation of liquid and amorphous materials, crystals, Nanomaterials, 2D materials (Graphene, silicene …)

Research track record (until September of 2016):

• ISI papers: 85

• Total ISI Citations: 991

• ISI H-index: 17

• Top ISI journals (at most 5):

1. Physics Reports
2. Physical Review B
3. Journal of Chemical Physics
4. Journal of Physical Chemistry B
5. Journal of Physical Chemistry C

CMP Tran Thi Thu Hanh

Dr. Tran Thi Thu Hanh

Position: Member of Computational Materials Physics Research Group, Ton Duc Thang University, Ho Chi Minh City, Vietnam

Areas of expertise: Computer simulation of liquid and amorphous materials, crystals, Nanomaterials

CMP Nguyen Hoang Giang

Nguyen Hoang Giang, MSc.

Position: Member of Computational Materials Physics Research Group, Ton Duc Thang University, Ho Chi Minh City, Vietnam

Areas of expertise: Computer simulation of liquid and amorphous materials, crystals, 2D materials

5. Former members (name, title, picture)

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6. Publications (ISI or Scopus only)

1. Vo Van Hoang, Vuong Phu Tai, Tran Ky Thinh, Nguyen Hoang Giang, Le Ngoc Qui; Ironene – A new 2D material; Computational Materials Science, Vol. 126 (2016), pp. 446–452 (ISI).

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