Farewell-Howard
Howard Yanxon left our group to join ANL as a postdoc. Congrats!
- Howard Yanxon 4
- Machine learning 4
- PyXtal 3
- high throughput 3
- machine learning 3
- neural networks 2
- TPDB 2
- Nature Communication 2
- Organic crystals 2
- Phase transition 2
- dielectric materials 1
- Scientific Data 1
- numerical optimization 1
- Julia 1
- graphite-diamond transition 1
- Matter 1
- topological phonons 1
- arXiv 1
- Journal of Applied Physics 1
- David Zagaceta 1
- Journal of Chemical Physics 1
- PyXtal\_FF 1
- Byung Kyun Kang 1
- topologic phononics 1
- 2D electrides 1
- PRB 1
- electrides 1
- Pedro Santos, David Zagaceta, Kevin Parrish 1
- Organic materials 1
- Materials informatics 1
- Machine learnng force field 1
- Materials Discovery, Machine learnng force field 1
- CeO2 1
- Spin polarization 1
- Nanopaticles 1
- UNLV, Barrick Scholar 1
- UNLV, tenure 1
- UNLV, interview 1
- Pedro Santos 1
- Review 1
- Symmetry 1
- Materials Informatics 1
- Spin–Spin Interaction 1
- Byungkyun Kang 1
- Hall effect 1
- UNCC 1
Howard Yanxon
Defense-Howard
Howard Yanxon successfully completed his PhD. He is the first PhD student from the Zhu’s group!
Publication in the Journal of Chemical Physics
Our recent work on silicon with bispectrum neural network potential was published today in the Journal of Chemical Physics. This is Howard Yonxon’s first pap...
Publication in the Journal of Applied Physics
Our recent work on spectral neural networks potential was published today in the Journal of Applied Physics. This is David Zagaceta’s first paper as the prim...
Machine learning
A highlight in Nature Materials
Our recent work on the Size-Dependent Nucleation in Crystal Phase Transition from Machine Learning Metadynamics was recently highlighted by Nature Materials ...
Cover in Phys. Rev. Lett.
Our recent work on the simulation of GaN’s phase transition and machine learning metadynamics was published today in Physical Review Letter. It was also fea...
Publication in Crystal Growth and Design
Our recent work on the classification of organic crytals was published today in Crystal Growth and Design.
NSF Early Career Award
Professor Oiang Zhu has been honored by the NSF with a Faculty Early Career Development Program for his resarch in Organic Materials Discovery with the Aid o...
PyXtal
PyXtal 0.0.6 Released
PyXtal 0.0.6 is available via pip instal pyxtal.
PyXtal 0.0.3 Released
PyXtal 0.0.3 is available via pip instal pyxtal. Note this is a pre-release version. The official release will follow soon.
PyXtal 0.0.1 Released
PyXtal 0.0.1 is available via pip instal pyxtal. Note this is a pre-release version. The official release will follow soon.
high throughput
Publication in PRB
Our work on high throughput screening of 2D electrides just came online in PRB
Publication in Nature Comm
Our work on high throughput screening of topological phononic materials just came online in Nature Communication
Publication in Scientific Data
Our recent work on the graphite-diamond transition was published today in Matter.
machine learning
DOE Early Career Award
Professor Oiang Zhu received the DOE’s Early Career Award for his resarch in Data-driven Discovery of Inorganic Electrides for Energy Applications.
Publication in the Journal of Chemical Physics
Our recent work on silicon with bispectrum neural network potential was published today in the Journal of Chemical Physics. This is Howard Yonxon’s first pap...
Publication in the Journal of Applied Physics
Our recent work on spectral neural networks potential was published today in the Journal of Applied Physics. This is David Zagaceta’s first paper as the prim...
neural networks
Publication in the Journal of Chemical Physics
Our recent work on silicon with bispectrum neural network potential was published today in the Journal of Chemical Physics. This is Howard Yonxon’s first pap...
Publication in the Journal of Applied Physics
Our recent work on spectral neural networks potential was published today in the Journal of Applied Physics. This is David Zagaceta’s first paper as the prim...
TPDB
Pyxtal paper online
The PyXtal paper come online now.
TPDB Released
We are happy to release the first topological phonon database with over 5000 material entries.
Nature Communication
Publication in Nature Comm
Our collaborative work on Breakdown of the scaling relation of anomalous Hall effect in Kondo lattice ferromagnet USbTe just came online in Nature Communicat...
Publication in Nature Comm
Our work on high throughput screening of topological phononic materials just came online in Nature Communication
Organic crystals
Publication in Crystal Growth and Design
Our recent work on the classification of organic crytals was published today in Crystal Growth and Design.
Publication in Journal of Materials Research
Our recent work on the Organic crytals was published today in Journal of Materials Research as an Invited Feature Paper-Review.
Phase transition
A highlight in Nature Materials
Our recent work on the Size-Dependent Nucleation in Crystal Phase Transition from Machine Learning Metadynamics was recently highlighted by Nature Materials ...
Cover in Phys. Rev. Lett.
Our recent work on the simulation of GaN’s phase transition and machine learning metadynamics was published today in Physical Review Letter. It was also fea...
dielectric materials
Publication in Scientific Data
Our recent work on the graphite-diamond transition was published today in Matter.
Scientific Data
Publication in Scientific Data
Our recent work on the graphite-diamond transition was published today in Matter.
numerical optimization
Numerical Optimization Course Offering
I am planning to teach a virtual course on numerical optimization in the Julia language, completely open to anyone interested.
Julia
Numerical Optimization Course Offering
I am planning to teach a virtual course on numerical optimization in the Julia language, completely open to anyone interested.
graphite-diamond transition
Publication in Matter
Our recent work on the graphite-diamond transition was published today in Matter.
Matter
Publication in Matter
Our recent work on the graphite-diamond transition was published today in Matter.
topological phonons
Submission to arXiv
Happy Children’s Day! Another important work of ours was just submitted to the arXiv.
arXiv
Submission to arXiv
Happy Children’s Day! Another important work of ours was just submitted to the arXiv.
Journal of Applied Physics
Publication in the Journal of Applied Physics
Our recent work on spectral neural networks potential was published today in the Journal of Applied Physics. This is David Zagaceta’s first paper as the prim...
David Zagaceta
Publication in the Journal of Applied Physics
Our recent work on spectral neural networks potential was published today in the Journal of Applied Physics. This is David Zagaceta’s first paper as the prim...
Journal of Chemical Physics
Publication in the Journal of Chemical Physics
Our recent work on silicon with bispectrum neural network potential was published today in the Journal of Chemical Physics. This is Howard Yonxon’s first pap...
PyXtal\_FF
PyXtal FF 0.1.0 Released
PyXtal_FF 0.1.0 is available via pip instal pyxtal_FF.
Byung Kyun Kang
New Member-Byungkyun
Dr. Byung Kyun Kang joined our group as the research assistant professor.
topologic phononics
Publication in Nature Comm
Our work on high throughput screening of topological phononic materials just came online in Nature Communication
2D electrides
Publication in PRB
Our work on high throughput screening of 2D electrides just came online in PRB
PRB
Publication in PRB
Our work on high throughput screening of 2D electrides just came online in PRB
electrides
DOE Early Career Award
Professor Oiang Zhu received the DOE’s Early Career Award for his resarch in Data-driven Discovery of Inorganic Electrides for Energy Applications.
Pedro Santos, David Zagaceta, Kevin Parrish
New Members-Pedro-David-Kevin
Pedro Santos joined our group as a postdoc. David Zagaceta and Kevin Parrish are entering the graduate program under the supervision of Zhu in Fall 2021.
Organic materials
NSF Early Career Award
Professor Oiang Zhu has been honored by the NSF with a Faculty Early Career Development Program for his resarch in Organic Materials Discovery with the Aid o...
Materials informatics
NSF Early Career Award
Professor Oiang Zhu has been honored by the NSF with a Faculty Early Career Development Program for his resarch in Organic Materials Discovery with the Aid o...
Machine learnng force field
TMS meeting
Professor Oiang Zhu attended the 2022 TMS annual meeting at Anaheim, CA and gave a talk on Machine learning force field and its application to high entropy a...
Materials Discovery, Machine learnng force field
Invited Seminar
Professor Oiang Zhu gave an invited seminar on Computational Materials Design at the University of Louisiana at Lafayette.
CeO2
Publication in JPCM
Our work on Modeling surface spin polarization on ceria-supported Pt nanoparticles just came online in J. Phys. Conden. Matter.
Spin polarization
Publication in JPCM
Our work on Modeling surface spin polarization on ceria-supported Pt nanoparticles just came online in J. Phys. Conden. Matter.
Nanopaticles
Publication in JPCM
Our work on Modeling surface spin polarization on ceria-supported Pt nanoparticles just came online in J. Phys. Conden. Matter.
UNLV, Barrick Scholar
Barrick Scholar award
Professor Oiang Zhu received the prestigious Barrick Scholar award. It is the designed to recognize UNLV faculty members who have established a record of dis...
UNLV, tenure
Tenure promotion
Oiang Zhu will be promoted to the Assoicate Professor with Tenure on July 1, 2022. Congrats!
UNLV, interview
Interview
Oiang Zhu was recently interviewed by UNLV for his recent awards. The full story is available online
Pedro Santos
New Members-Danilo-Kalhara
Danilo Arturo Rodriguez and Kalhara Perera are entering the graduate program under the supervision of Zhu in Fall 2022.
Review
Publication in Journal of Materials Research
Our recent work on the Organic crytals was published today in Journal of Materials Research as an Invited Feature Paper-Review.
Symmetry
Publication in MRS Communications
Our recent work on the symmetry relation database was published today in MRS Communications.
Materials Informatics
Publication in MRS Communications
Our recent work on the symmetry relation database was published today in MRS Communications.
Spin–Spin Interaction
Publication in J. Phys. Chem. C
Our recent work on the Spin–Spin Interaction in ε-VOPO4 through Doping Light Elements was published today in J. Phys. Chem. C.
Byungkyun Kang
Farewell-Byungkyun Kang
Byungkyun Kang left our group to join University of Delaware as a computer scientist. Congrats!
Hall effect
Publication in Nature Comm
Our collaborative work on Breakdown of the scaling relation of anomalous Hall effect in Kondo lattice ferromagnet USbTe just came online in Nature Communicat...
UNCC
Moving to UNCC
We are glad to announce that the Zhu Group has moved to the Department of Mechanical Engineering and Energy Science (MEES) of University of North Carolina at...