Physics and Astronomy

Sub-megahertz narrow-band photon pairs at 606 nm for solid-state quantum memories

Jianji Liu, Jiachen Liu, Ping Yu, and Guoquan Zhang

APL Photonics 5, 066105 (2020)

Self-Assembled Two-Dimensional Nanoporous Crystals as Molecular Sieves: Molecular Dynamics Studies of 1,3,5-Tristyrilbenzene-Cn Superstructures

Alexander St. John, Michael W. Roth, Lucyna Firlej, Bogdan Kuchta, Fabrice Charra, and Carlos Wexler

J. Chem. Inf. Model. 60, 4, 2155–2168 (2020)

The effects of anthracycline drugs on the conformational distribution of mouse P-glycoprotein explains their transport rate differences

P. H. Nguyen, K. P. Sigdel, K. G. Schaefer, G. A. K. Mensah, G. M. King，A. G. Robertsa

BIOCHEMICAL PHARMACOLOGY 174，UNSP 113813 (2020)

On carbon nanotubes in the interstellar medium

Qi Li, Aigen Li, B W Jiang, Tao Chen

Monthly Notices of the Royal Astronomical Society, 493, 3054–3059 (2020)

Understanding the lattice thermal conductivity of SrTiO3 from an ab initio perspective

Adolfo O. Fumega, Yuhao Fu, Victor Pardo, and David J. Singh

Phys. Rev. Materials 4, 033606 （2020）

Intrinsic orbital moment and prediction of a large orbital Hall effect in two-dimensional transition metal dichalcogenides

Sayantika Bhowal and S. Satpathy

Phys. Rev. B 101, 121112(R) （2020）

Two-stage electro–mechanical coupling of a KV channel in voltage-dependent activation

Panpan Hou, Po Wei Kang, Audrey Deyawe Kongmeneck, Nien-Du Yang, Yongfeng Liu, Jingyi Shi, Xianjin Xu, Kelli McFarland White, Mark A. Zaydman, Marina A. Kasimova, Guiscard Seebohm, Ling Zhong, Xiaoqin Zou, Mounir Tarek & Jianmin Cui

Nature Communications 11, 676 (2020)

Characterization of rattling in relation to thermal conductivity: Ordered half-Heusler semiconductors

Zhenzhen Feng, Yuhao Fu, Yongsheng Zhang, and David J. Singh

Phys. Rev. B 101, 064301 (2020)

Coexistence of large conventional and planar spin Hall effect with long spin diffusion length in a low-symmetry semimetal at room temperature

Peng Song, Chuang-Han Hsu, Giovanni Vignale, Meng Zhao, Jiawei Liu, Yujun Deng, Wei Fu, Yanpeng Liu, Yuanbo Zhang, Hsin Lin, Vitor M. Pereira & Kian Ping Loh

Nature Materials 19, 292 (2020)

Machine Learning Assisted Synthesis of Metal–Organic Nanocapsules

Yunchao Xie, Chen Zhang, Xiangquan Hu, Chi Zhang, Steven P. Kelley, Jerry L. Atwood, Jian Lin

JACS 142, 1475 (2020)

Pressure-Induced Phase Changes in Cesium Lead Bromide Perovskite Nanocrystals with and without Ruddlesden–Popper Faults

Sorb Yesudhas, Maria V. Morrell, Matthew J. Anderson, Carsten A. Ullrich, Curtis Kenney-Benson, Yangchuan Xing, Suchismita Guha

Chem. Mater. (2020) 32, 2, 785-794

Realization of Symmetry-Enforced Two-Dimensional Dirac Fermions in Nonsymmorphic α-Bismuthene

P. Kowalczyk, S. Brown, T. Maerkl, Q. Lu, C. Chiu, Y. Liu, S. Yang, X. Wang, I. Zasasada, F. Genuzio, T. Mentes, A. Locatelli, T.-C. Chiang and G. Bian

ACS Nano (2020) doi.org/10.1021/acsnano.9b08136

Minimizing off-target effects in CRISPR-Cas9 genome editing

Chen, Shi-Jie

CELL BIOLOGY AND TOXICOLOGY 35, 399 (2019)

Band Topology of Bismuth Quantum Films

Tay-Rong Chang,Qiangsheng Lu,Xiaoxiong Wang,Hsin Lin, T. Miller,Tai-Chang Chiang, and Guang Bian

Crystals 9, 510 (2019)

PepPro: A Nonredundant Structure Data Set for Benchmarking Peptide–Protein Computational Docking

Xianjin Xu, Xiaoqin Zou

JOURNAL OF COMPUTATIONAL CHEMISTRY 41, 362 (2020)

The infrared bands of polycyclic aromatic hydrocarbons in the 1.6–1.7 μm wavelength region

Tao Chen, Yi Luo and Aigen Li

ASTRONOMY & ASTROPHYSICS 632, A71 (2019)

Topological Magnon-Phonon Hybrid Excitations in Two-Dimensional Ferromagnets with Tunable Chern Numbers

Gyungchoon Go, Se Kwon Kim, and Kyung-Jin Lee

Phys. Rev. Lett. 123, 237207 (2019)

Electronic and magnetic properties of perovskite selenite and tellurite compounds: CoSeO3, NiSeO3, CoTeO3, and NiTeO3

A. Rafi M. Iasir, Todd Lombardi, Qiangsheng Lu, Amir M. Mofrad, Mitchel Vaninger, Xiaoqian Zhang, and David J. Singh

Phys. Rev. B 101, 045107 (2020)

How much graphene in space?

Qi Li, Aigen Li, B W Jiang

Monthly Notices of the Royal Astronomical Society 490, 3875 (2019)

Adsorption-Induced Expansion of Graphene Oxide Frameworks: Observation by in Situ Neutron Diffraction

Joseph C. Schaeperkoetter, Matthew J. Connolly, Zachary N. Buck, Haskell Taub, Helmut Kaiser, Carlos Wexler

ACS Omega (2019) doi.org/10.1021/acsomega.9b02589

Computer modeling of 2D supramolecular nanoporous monolayers self-assembled on graphite

Alexander St. John, Michael W. Roth, Lucyna Firlej, Bogdan Kuchta, Fabrice Charra and Carlos Wexler

Nanoscale (2019) 10.1039/C9NR05710B

UV-Ozone Modified Sol-Gel Processed ZnO for Improved Diketopyrrolopyrrole-Based Hybrid Photodetectors

Alec Pickett, Aiswarya A. Mohapatra, Suman Ray, Qiangsheng Lu, Guang Bian, Kartik C. Ghosh, Satish Patil and Suchismita Guha

ACS Appl. Electron. Mater. (2019) doi.org/10.1021/acsaelm.9b00597

Revealing interfacial disorder at the growth-front of thick many-layer epitaxial graphene on SiC: a complementary neutron and X-ray scattering investigation

A. R. Mazza, A. Miettinen, A. A. Daykin, X. He, T. R. Charlton, M. Conrad, S. Guha, Q. Lu, G. Bian, E. H. Conrad and P. F. Miceli

Nanoscale, 11, 14434 (2019)

Atomic deuteration of epitaxial many-layer graphene on 4H-SiC(0001)

Alessandro R. Mazza, Anna Miettinen, Matt Conrad, Timothy R. Charlton, Xiaoqing He, Suchi Guha, Guang Bian, Jian Lin, Edward H. Conrad, and Paul F. Miceli

Journal of Vacuum Science & Technology B 37, 041804 (2019)

Boron–oxygen complex yields n-type surface layer in semiconducting diamond

Xiaobing Liu, Xin Chen, David J. Singh, Richard A. Stern, Jinsong Wu, Sylvain Petitgirard, Craig R. Bina, and Steven D. Jacobsen

PNAS 116, 7703 (2019)

Breakdown of the Wiedemann-Franz law in AB-stacked bilayer graphene

Mohammad Zarenia, Thomas Benjamin Smith, Alessandro Principi, and Giovanni Vignale

Phys. Rev. B 99, 161407(R) (2019)

Mechanism of Action of Peptides That Cause the pH-Triggered Macromolecular Poration of Lipid Bilayers

Sarah Y. Kim, Anna E. Pittman, Elmer Zapata-Mercado, Gavin M. King, William C. Wimley, Kalina Hristova

JACS 141, 6706 (2019)

Unified energetics analysis unravels SpCas9 cleavage activity for optimal gRNA design

Dong Zhang, Travis Hurst, Dongsheng Duan, and Shi-Jie Chen

PNAS 116, 8693 (2019)

The formation of ultra-diffuse galaxies in cored dark matter haloes through tidal stripping and heating

Timothy Carleton, Raphaël Errani, Michael Cooper, Manoj Kaplinghat, Jorge Peñarrubia, Yicheng Guo

Monthly Notices of the Royal Astronomical Society 485, 1 (2019)

Quantum critical behavior in Ce(Fe0.76Ru0.24)2Ge2

Wouter Montfrooij, Tom Heitmann, Yiming Qiu, Shannon Watson, Ross Erwin, Wangchun Chen, Yang Zhao, Meigan Aronson, Yingkai Huang, and Anne de Visser

Phys. Rev. B 99, 195113 (2019)

Probabilistic Galaxy Pair Counts in the CANDELS Fields

Kenneth Duncan, Christopher J. Conselice, Carl Mundy, Eric Bell, Jennifer Donley, Audrey Galametz, Yicheng Guo, Norman A. Grogin, Nimish Hathi, Jeyhan Kartaltepe, Dale Kocevski, Anton M. Koekemoer, Pablo G. Pérez-González, Kameswara B. Mantha, Gregory F.

The Astrophysical Journal 876, 2 (2019)

Structural instability and magnetism of superconducting KCr3As3

Guangzong Xing, Ling Shang, Yuhao Fu, Wei Ren, Xiaofeng Fan, Weitao Zheng, and David J. Singh

Phys. Rev. B 99, 174508 (2019)

Chirality and intrinsic dissipation of spin modes in two-dimensional electron liquids

D'Amico, Irene, Perez, Florent, and Ullrich, Carsten A.

J. Phys. D: Appl. Phys. 52 203001 (2019)

Electric field tuning of the anomalous Hall effect at oxide interfaces

Bhowal, Sayantika and Satpathy, Sashi

npj Computational Materials 5, 61 (2019)

Disorder-enabled hydrodynamics of charge and heat transport in monolayer graphene

Mohammad Zarenia, Alessandro Principi and Giovanni Vignale

2D Materials 6, 035024 (2019)

Improve depth of field of optical coherence tomography using finite energy Airy beam

Miao ZHANG, Zhijun REN, and Ping YU

Optics Letters 44, 3158 (2019)

Topological Hall effect at above room temperature in heterostructures composed of a magnetic insulator and a heavy metal

Qiming Shao, Yawen Liu, Guoqiang Yu, Se Kwon Kim, Xiaoyu Che, Chi Tang, Qing Lin He, Yaroslav Tserkovnyak, Jing Shi & Kang L. Wang

Nature Electronics 2, 182–186 (2019)

Topological transport of vorticity in Heisenberg magnets

Ji Zou, Se Kwon Kim, and Yaroslav Tserkovnyak

Phys. Rev. B 99, 180402(R)

Field and Current Control of the Electrical Conductivity of an Artificial 2D Honeycomb Lattice

Advanced Materials Cover Story!

Yiyao Chen, Brock Summers, Ashutosh Dahal, Valeria Lauter, Giovanni Vignale, and Deepak K. Singh

Adv. Mater. 2019, 1808298

Relaxing Kondo-screened Kramers doublets in CeRhSi3

J. Pásztorová, A. Howell, M. Songvilay, P. M. Sarte, J. A. Rodriguez-Rivera, A. M. Arévalo-López, K. Schmalzl, A. Schneidewind, S. R. Dunsiger, D. K. Singh, C. Petrovic, R. Hu and C. Stock

PHYSICAL REVIEW B 99, 125144 (2019)

Covariant equations of motion of extended bodies with arbitrary mass and spin multipoles

Sergei M. Kopeikin

PHYSICAL REVIEW D 99, 084008 (2019)

Predicting protein-ligand binding modes for CELPP and GC3: workflows and insight

Xianjin Xu, Zhiwei Ma, Rui Duan and Xiaoqin Zou

J Comput Aided Mol Des. 33:367 (2019)

Vanishing skyrmion Hall effect at the angular momentum compensation temperature of a ferrimagnet

Yuushou Hirata, Duck-Ho Kim, Se Kwon Kim, et al.

Nature Nanotechnology 14, 232 (2019)

First principles based screen for identification of transparent conductors

Yuwei Li and David J. Singh

J. Mater. Chem. C, 7, 2436 (2019)

Spin correlation in trigonal EuMn2As2

A. Dahal, Yiyao Chen, T. Heitmann, A. Thamizhavel, U. Paramanik, S. K. Dhar, and D. K. Singh

Phys. Rev. B 99, 085135 (2019)

Quantum oscillations in the noncentrosymmetric superconductor and topological nodal-line semimetal PbTaSe2

Xitong Xu, Zhibo Kang, Tay-Rong Chang, Hsin Lin, Guang Bian, Zhujun Yuan, Zhe Qu, Jinglei Zhang, and Shuang Jia

Phys. Rev. B 99, 104516 (2019)

The evolution of galaxy shapes in CANDELS: from prolate to discy

Haowen Zhang, Joel R. Primack , S. M. Faber, David C Koo, Avishai Dekel, Zhu Chen, Daniel Ceverino, Yu-Yen Chang, Jerome J. Fang, Yicheng Guo, Lin Lin, Arjen van der Wel

Monthly Notices of the Royal Astronomical Society, 484, 5170 (2019)

Chirality and intrinsic dissipation of spin modes in two-dimensional electron liquids

Irene D'Amico, Florent Perez and Carsten A. Ullrich

J. Phys. D: Appl. Phys. 52, 203001 (2019)

Low Magnetic Damping of Ferrimagnetic GdFeCo Alloys

Duck-Ho Kim, Takaya Okuno, Se Kwon Kim, Se-Hyeok Oh, Tomoe Nishimura, Yuushou Hirata, Yasuhiro Futakawa, Hiroki Yoshikawa, Arata Tsukamoto, Yaroslav Tserkovnyak, Yoichi Shiota, Takahiro Moriyama, Kab-Jin Kim, Kyung-Jin Lee, and Teruo Ono

Phys. Rev. Lett. 122, 127203 (2019)

Discovery of TaFeSb-based half-Heuslers with high thermoelectric performance

H. Zhu, J. Mao, Y. Li, J. Sun, Y. Wang, Q. Zhu, G. Li, Q. Song, J. Zhou, Y. Fu, R. He, T. Tong, Z. Liu, W. Ren, L. You, Z. Wang, J. Luo, A. Sotnikov, J. Bao, K. Nielsch, G. Chen, D. J. Singh & Z. Ren

Nature Communications 10: 270 (2019)

Covariant equations of motion beyond the spin-dipole particle approximation

Sergei M. Kopeikin

Eur. Phys. J. Plus 134: 68 (2019)

Land-Atmosphere Responses to a Total Solar Eclipse in Three Ecosystems With Contrasting Structure and Physiology

J. D. Wood, E. J. Sadler, N. I. Fox, S. T. Greer, L. Gu, P. E. Guinan, A. R. Lupo, P. S. Market, S. M. Rochette, A. Speck, L. D. White

Journal of GeophysicalResearch: Atmospheres,124, 530 (2019)

Spin correlation in trigonal EuMn2As2

A. Dahal, Yiyao Chen, T. Heitmann, A. Thamizhavel, U. Paramanik, S. K. Dhar, and D. K. Singh

Phys. Rev. B 99, 085135 (2019)

Domain wall dynamics in easy-cone magnets

Peong-Hwa Jang, Se-Hyeok Oh, Se Kwon Kim, and Kyung-Jin Lee

Phys. Rev. B 99, 024424 (2019)

Predicting RNA-Metal Ion Binding with Ion Dehydration Effects

Sun, Li-Zhen and Chen, Shi-Jie

BIOPHYSICAL JOURNAL 116, 184 (2019)

Multiple stochastic pathways in forced peptide-lipid membrane detachment

Milica Utjesanovic, Tina R. Matin, Krishna P. Sigdel, Gavin M. King & Ioan Kosztin

Scientific Reports 9, 451 (2019)

Tunable Magnonic Thermal Hall Effect in Skyrmion Crystal Phases of Ferrimagnets

Se Kwon Kim, Kouki Nakata, Daniel Loss, and Yaroslav Tserkovnyak

Phys. Rev. Lett. 122, 057204 (2019)

Textured Poling of the Ferroelectric Dielectric Layer for Improved Organic Field‐Effect Transistors

Amrit Laudari, Alec Pickett, Fatemeh Shahedipour‐Sandvik, Kasey Hogan, John E. Anthony, Xiaoqing He, Suchismita Guha

Advanced Materials Interfaces, 10.1002/admi.201801787 (2019)

Temperature dependent carrier mobility in organic field-effect transistors: The role of dielectrics

A. Laudari and S. Guha

Journal of Applied Physics 125, 035501 (2019)

Strain engineering of the intrinsic spin Hall conductivity in a SrTiO3 quantum well

Cüneyt Şahin, Giovanni Vignale, and Michael E. Flatté

Phys. Rev. Materials 3, 014401 (2019)

Dielectric Behavior as a Screen in Rational Searches for Electronic Materials: Metal Pnictide Sulfosalts

X. He, David. J. Singh, P. Boon-On, M. W. Lee, L. J. Zhang

JACS 140, 18058 (2019)

Domain wall dynamics in easy-cone magnets

Peong-Hwa Jang, Se-Hyeok Oh, Se Kwon Kim, and Kyung-Jin Lee

Phys. Rev. B 99, 024424 (2019)

Vanishing skyrmion Hall effect at the angular momentum compensation temperature of a ferrimagnet

Yuushou Hirata, Duck-Ho Kim, Se Kwon Kim, et al.

Nature Nanotechnology (2019)

Applicability of the Strongly Constrained and Appropriately Normed Density Functional to Transition-Metal Magnetism

Fu, Yuhao; Singh, David J.

PHYSICAL REVIEW LETTERS 121, 207201 (2018)

The Widespread Presence of Nanometer-size Dust Grains in the Interstellar Medium of Galaxies

Xie, Yanxia; Ho, Luis C.; Li, Aigen; Shangguan, Jinyi

ASTROPHYSICAL JOURNAL 867, 91 (2018)

Revealing Dusty Supernovae in High-redshift (Ultra) Luminous Infrared Galaxies through Near-infrared Integrated Light Variability

Yan, Haojing; Ma, Zhiyuan; Beacom, John F.; Runge, James

ASTROPHYSICAL JOURNAL 867, 21 (2018)

MDockPeP: An ab-initio protein-peptide docking server

Xianjin Xu, Chengfei Yan, Xiaoqin Zou

Journal of Computational Chemistry (2018) 39, 2409

Single-molecule observation of nucleotide induced conformational changes in basal SecA-ATP hydrolysis

Chada, Nagaraju; Chattrakun, Kanokporn; Marsh, Brendan P.; Mao, Chunfeng; Bariya, Priya; King, Gavin M.

SCIENCE ADVANCES 4, eaat8797 (2018)

The conformation and dynamics of P-glycoprotein in a lipid bilayer investigated by atomic force microscopy

Sigdel, K. P.; Wilt, L. A.; Marsh, B. P.; Roberts, A. G.; King, G. M.

BIOCHEMICAL PHARMACOLOGY 156, 302 (2018)

Realization of a Type-II Nodal-Line Semimetal in Mg3Bi2

T.-R. Chang, I. Pletikosic, T. Kong, G. Bian, et al.

Advanced Science 1800897 (2018)

Nonlocal Spin Transport Mediated by a Vortex Liquid in Superconductors

Featured in Physics

Se Kwon Kim, Roberto Myers, and Yaroslav Tserkovnyak

Phys. Rev. Lett. 121, 187203 (2018)

Three-Dimensional Full-Range Dual-Band Fourier Domain Optical Coherence Tomography Accelerated by Graphic Processing Unit

Miao Zhang , Lixin Ma , and Ping Yu

IEEE Journal of Selected Topics in Quantum Electronics, 25, 1 (2019)

Thermal conductivity of perovskite KTaO3 and PbTiO3 from first principles

Yuhao Fu and David J. Singh

Phys. Rev. Materials 2, 094408 (2018)

Design, Synthesis, and in Vitro and in Vivo Evaluation of High Affinity and Specificity Near-Infrared Fluorescent Bombesin Antagonists for Tumor Imaging

Hang Xu, Rajendra P. Bandari, Li Lee, Ran Li, Ping Yu, Charles J. Smith, and Lixin Ma

J. Med. Chem., 61 (17), 7657 (2018)

Giant and anisotropic many-body spin–orbit tunability in a strongly correlated kagome magnet

Jia-Xin Yin et al.

Nature 562, 91 (2018)

Cooper-Pair Spin Current in a Strontium Ruthenate Heterostructure

Suk Bum Chung, Se Kwon Kim, Ki Hoon Lee, and Yaroslav Tserkovnyak

Phys. Rev. Lett. 121, 167001 (2018)

Tunability of electronic and optical properties of the Ba-Zr-S system via dimensional reduction

Yuwei Li and David J. Singh

Eur. Phys. J. B 91, 188 (2018)

Probing the 9.7 mu m interstellar silicate extinction profile through the Spitzer/IRS spectroscopy of OB stars

Shao, Zhenzhen; Jiang, B. W.; Li, Aigen; et al.

MONTHLY NOTICES OF THE ROYAL ASTRONOMICAL SOCIETY 478, 3467 (2018)

Design, Synthesis, and in Vitro and in Vivo Evaluation of High Affinity and Specificity Near-Infrared Fluorescent Bombesin Antagonists for Tumor Imaging

Hang Xu, Rajendra P. Bandari, Li Lee, Ran Li, Ping Yu, Charles J. Smith, and Lixin Ma

J. Med. Chem. 61 (17), 7657 (2018)

Spin-orbital entangled two-dimensional electron gas at the LaAlO3/Sr2IrO4 interface

Churna Bhandari and S. Satpathy

Phys. Rev. B 98, 041303(R) (2018)

Conformations and Dynamic Transitions of a Melittin Derivative That Forms Macromolecule-Sized Pores in Lipid Bilayers

Anna E. Pittman, Brendan P. Marsh, and Gavin M. King

Langmuir 34, 8393 (2018)

Spinning particles in twisted gravitational wave spacetimes

Donato Bini, Carmen Chicone, Bahram Mashhoon, and Kjell Rosquist

Phys. Rev. D 98, 024043 (2018)

Density-functional theory for systems with noncollinear spin: Orbital-dependent exchange-correlation functionals and their application to the Hubbard dimer

Carsten A. Ullrich

Phys. Rev. B 98, 035140 (2018)

Evidence of Environmental Quenching at Redshift z approximate to 2

Zhiyuan Ji, Mauro Giavalisco, Christina C. Williams, Sandra M. Faber, Henry C. Ferguson, Yicheng Guo, Teng Liu, and Bomee Lee

The Astrophysical Journal 862:135 (2018)

A shortcut to gradient-corrected magnon dispersion: exchange-only case

Eich, Florian G.; Pittalis, Stefano; Vignale, Giovanni

EUROPEAN PHYSICAL JOURNAL B 91:173 (2018)

Predicting Cotranscriptional Folding Kinetics For Riboswitch

Sun, Ting-ting; Zhao, Chenhan; Chen, Shi-Jie

JOURNAL OF PHYSICAL CHEMISTRY B 122, 7484 (2018)

Polarization Modulation in Ferroelectric Organic Field-Effect Transistors

A. Laudari, A. R. Mazza, A. Daykin, S. Khanra, K. Ghosh, F. Cummings, T. Muller, P.F. Miceli, and S. Guha

Phys. Rev. Applied 10, 014011 (2018)

From Ising Resonant Fluctuations to Static Uniaxial Order in Antiferromagnetic and Weakly Superconducting CeCo(In_(1−x)Hg_x)_5 (x = 0.01)

C. Stock, J. A. Rodriguez-Rivera, K. Schmalzl, F. Demmel, D. K. Singh, F. Ronning, J. D. Thompson, and E. D. Bauer

Phys. Rev. Lett. 121, 037003 (2018)

Discovery of ZrCoBi based half Heuslers with high thermoelectric conversion efficiency

H. Zhu, R.He, J. Mao, Q. Zhu, C. Li, J. Sun, W. Ren, Y. Wang, Z. Liu, Z. Tang, A. Sotnikov, Z. Wang, D. Broido, D. J. Singh, G. Chen, K. Nielsch & Z. Ren

Nature Communications 9:2497 (2018)

Observation of Out-of-Plane Spin Texture in a SrTiO3 (111) Two-Dimensional Electron Gas

P. He, S. Walker, S. S.-L. Zhang, F. Y. Bruno, M. S. Bahramy, J. M. Lee, R. Ramaswamy, K. Cai, O. Heinonen, G. Vignale, F. Baumberger, and H. Yang

Phys. Rev. Lett. 120, 266802 (2018)

Visualizing electronic excitations with the particle-hole map: orbital localization and metric space analysis

Pluhar, Edward A.; Ullrich, Carsten A.

EUROPEAN PHYSICAL JOURNAL B 91, 137 (2018)

A New Technique for Measuring Polycyclic Aromatic Hydrocarbon Emission in Different Environments

Xie, Yanxia; Ho, Luis C.; Li, Aigen; Shangguan, Jinyi

ASTROPHYSICAL JOURNAL 860, 154 (2018)

Correlating Charge Transport with Structure in Deconstructed Diketopyrrolopyrrole Oligomers: A Case Study of a Monomer in Field-Effect Transistors

A. Pickett, M. Torkkeli, T. Mukhopadhyay, B. Puttaraju, A. Laudari, A. E. Lauritzen, O. Bikondoa, J. Kjelstrup-Hansen, Matti Knaapila, S. Patil, and S. Guha

ACS Appl. Mater. Interfaces, 10 (23), 9844 (2018)

Scaling of nonlinear susceptibilities in an artificial permalloy honeycomb lattice

A. Dahal, Y. Chen, B. Summers, and D. K. Singh

PHYSICAL REVIEW B 97, 214420 (2018)

Experimental and theoretical electronic structure and symmetry effects in ultrathin NbSe2 films

C. Xu, X. Wang, P. Chen, D. Flototto, J. Hlevyack, M. Lin, G. Bian et al

Phys. Rev. Materials 2, 064002 (2018)

Stability of the antiferromagnetic state in the electron doped iridates

Sayantika Bhowal, Jamshid Moradi Kurdestany and Sashi Satpathy

JOURNAL OF PHYSICS-CONDENSED MATTER 30: 235601 (2018)

Thermoelectric properties of layered NaSbSe2

Aditya Putatunda, Guangzong Xing, Jifeng Sun, Yuwei Li and David J. Singh

JOURNAL OF PHYSICS-CONDENSED MATTER 30: 225501 (2018)

Hierarchical Assembly of RNA Three-Dimensional Structures Based on Loop Templates

Xiaojun Xu and Shi-Jie Chen

J. Phys. Chem. B, 122, 5327 (2018)

Bipolar Conduction as the Possible Origin of the Electronic Transition in Pentatellurides: Metallic vs Semiconducting Behavior

P. Shahi, D. J. Singh, J. P. Sun, L. X. Zhao et al.

Phys. Rev. X 8, 021055 (2018)

Bilinear magnetoelectric resistance as a probe of three-dimensional spin texture in topological surface states

Pan He, Steven S.-L. Zhang, Dapeng Zhu, Yang Liu, Yi Wang, Jiawei Yu, Giovanni Vignale and Hyunsoo Yang

NATURE PHYSICS 14, 495 (2018)

Multiple topological electronic phases in superconductor MoC

Angus Huang, Adam D. Smith, Madison Schwinn, Qiangsheng Lu, Tay-Rong Chang, Weiwei Xie, Horng-Tay Jeng, and Guang Bian

Phys. Rev. Materials 2, 054205 (2018)

Thermoelectric properties of layered NaSbSe2

Aditya Putatunda, Guangzong Xing, Jifeng Sun, Yuwei Li and David J. Singh

Journal of Physics: Condensed Matter, 30, 225501 (2018)

Magnetic Diode Behavior at Room Temperature in 2D Honeycombs

Summers, Brock; Dahal, Ashutosh; Singh, Deepak K.

ADVANCED ELECTRONIC MATERIALS 4:1700500 (2018)

Effect of structural distortion on the electronic band structure of NaOsO3 studied within density functional theory and a three-orbital model

Mohapatra, Shubhajyoti; Bhandari, Churna; Satpathy, Sashi; et al.

PHYSICAL REVIEW B 97:155154 (2018)

Spin Solid versus Magnetic Charge Ordered State in Artificial Honeycomb Lattice of Connected Elements

Glavic, Artur; Summers, Brock; Dahal, Ashutosh; Kline, Joseph; Van Herck, Walter; Sukhov, Alexander; Ernst, Arthur; Singh, Deepak K.

ADVANCED SCIENCE 5: 1700856 (2018)

IsRNA: An Iterative Simulated Reference State Approach to Modeling Correlated Interactions in RNA Folding

Dong Zhang; Shi-Jie Chen

JOURNAL OF CHEMICAL THEORY AND COMPUTATION 14, 2230 (2018)

Optical and electronic properties of doped p-type CuI: Explanation of transparent conductivity from first principles

Yuwei Li, Jifeng Sun, and David J. Singh

Phys. Rev. Materials 2, 035003 (2018)

Hexahydrated Mg2+ Binding and Outer-Shell Dehydration on RNA Surface

Tao Yu, Shi-Jie Chen

Biophysical Journal 114(6):1274 (2018)

MUSE spectroscopy and deep observations of a unique compact JWST target, lensing cluster CLIO

Alex Griffiths, Christopher J Conselice, Mehmet Alpaslan, Brenda L Frye, Jose M Diego, Adi Zitrin, Haojing Yan Zhiyuan Ma, et al.

Monthly Notices of the Royal Astronomical Society, 475, 2853(2018)

Twisted gravitational waves

Donato Bini; Carmen Chicone; Bahram Mashhoon

Phys. Rev. D 97, 064022 (2018)

Functionalized Self-Assembled Peptide Nanotubes with Cobalt Ferrite Nanoparticles for Applications in Organic Electronics

Soma Khanra, Md Abdullah-Al Mamun, Fabio F. Ferreira, Kartik Ghosh, and Suchismita Guha

ACS Appl. Nano Mater. 1, 1175 (2018)

Magnetic Diode Behavior at Room Temperature in 2D Honeycombs

Brock Summers, Ashutosh Dahal, and Deepak K. Singh

Adv. Electron. Mater. (2018), 1700500

Gapped excitation in dense Kondo lattice CePtZn

L. Harriger, S. M. Disseler, J. Gunasekera, J. Rodriguez-Rivera, J. Pixley, P. Manfrinetti, S. K. Dhar, and D. K. Singh

PHYSICAL REVIEW B 95, 041102(R) (2017)

Quantum Magnetic Properties in Perovskite with Anderson Localized Artificial Spin-1/2

J. Gunasekera, A. Dahal, Y. Chen, J. A. Rodriguez-Rivera, L. W. Harriger, S. Thomas, T. W. Heitmann, V. Dugaev, A. Ernst, and D. K. Singh

Adv. Sci. (2018), 1700978

New Description of Evolution of Magnetic Phases in Artificial Honeycomb Lattice

B. Summers, Y. Chen, A. Dahal & D. K. Singh

Scientific Reports 7: 16080 (2017)

Possible superconductivity in chemically doped CrSb_1+x

Ashutosh Dahal, Jagath Gunasekera, and Deepak K. Singh

Phys. Status Solidi RRL (2017), 11, 1700211

Spin Solid versus Magnetic Charge Ordered State in Artificial Honeycomb Lattice of Connected Elements

Artur Glavic, Brock Summers, Ashutosh Dahal, Joseph Kline, Walter Van Herck, Alexander Sukhov, Arthur Ernst, and Deepak K. Singh

Adv. Sci. (2018), 1700856

Dzyaloshinskii-Moriya interaction in the presence of Rashba and Dresselhaus spin-orbit coupling

Mohammad M. Valizadeh; S. Satpathy

Phys. Rev. B 97, 094419 (2018)

Spin-helix Larmor mode

Karimi, Shahrzad; Ullrich, Carsten A.; D'Amico, Irene; Perez, Florent

SCIENTIFIC REPORTS

DFT calculation for stability and strength of iron borides

Huang, H. H.; Fan, Xiaofeng; Yang, G. M.; Singh, David J.; Zheng, W. T.

COMPUTATIONAL MATERIALS SCIENCE

Normal gravity field in relativistic geodesy

Kopeikin, Sergei; Vlasov, Igor; Han, Wen-Biao

PHYSICAL REVIEW D

Pt–Bi Antibonding Interaction: The Key Factor for Superconductivity in Monoclinic BaPt2Bi2

X. Gui, L. Xing, X. Wang, G. Bian, R. Jin, and W. Xie

Inorganic Chemistry

Pb5Sb8S17 quantum dot-sensitized solar cells with an efficiency of 6% under 0.05 sun: Theoretical and experimental studies

Sie, Sheng-Fong; Suriyawong, Nipapon; Shi, Jen-Bin; He, Xin; Zhang, Lijun; Singh, David J.; Lee, Ming-Way

PROGRESS IN PHOTOVOLTAICS

Fractional electrical dimensionality in the spin solid phase of artificial honeycomb lattice

Dahal, A.; Summers, B.; Singh, D. K.

APPLIED PHYSICS LETTERS

Gapped Electronic Structure of Epitaxial Stanene on InSb(111)

C.-Z. Xu, Y.-H. Chan, P. Chen, X. Wang, D. Floetotto, J. A. Hlevyack, G. Bian, S.-K. Mo, M.-Y. Chou and T.-C. Chiang

PHYSICAL REVIEW B

Magnetic and noncentrosymmetric Weyl fermion semimetals in the RAlGe family of compounds (R = rare earth)

G. Chang, B. Singh, S.-Y. Xu, G. Bian et al.

PHYSICAL REVIEW B

Nanopore electric snapshots of an RNA tertiary folding pathway

Xinyue Zhang, Dong Zhang, Chenhan Zhao, Kai Tian, Ruicheng Shi, Xiao Du, Andrew J. Burcke, Jing Wang, Shi-Jie Chen, Li-Qun Gu

Nature Communications

Docking-based inverse virtual screening: methods, applications, and challenges

Xianjin Xu, Marshal Huang, Xiaoqin Zou

Biophysics Reports

Temperature-dependent magnetism in artificial honeycomb lattice of connected elements

Summers, B.; Debeer-Schmitt, L.; Dahal, A.; Glavic, A.; Kampschroeder, P.; Gunasekera, J.; Singh, D. K.

PHYSICAL REVIEW B

Collective-Goldstone-mode-induced ultralow lattice thermal conductivity in Sn-filled skutterudite SnFe4Sb12

Fu, Yuhao; He, Xin; Zhang, Lijun; Singh, David J.

PHYSICAL REVIEW B

Lessons learned from participating in D3R 2016 Grand Challenge 2: compounds targeting the farnesoid X receptor

Duan, Rui; Xu, Xianjin; Zou, Xiaoqin

JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN

The Hessian Blob Algorithm: Precise Particle Detection in Atomic Force Microscopy Imagery

Brendan P. Marsh, Nagaraju Chada, Raghavendar Reddy Sanganna Gari, Krishna P. Sigdel & Gavin M. King

Scientific Reports

Structure and evolution of semiconducting buffer graphene grown on SiC(0001)

M. Conrad, J. Rault, Y. Utsumi, Y. Garreau, A. Vlad, A. Coati, J.-P. Rueff, P. F. Miceli, and E. H. Conrad

Physical Review B

Wide Band Gap Semiconductor from a Hidden 2D Incommensurate Graphene Phase

Matthew Conrad, Feng Wang, Meredith Nevius, Katherine Jinkins, Arlensiú Celis, Maya Narayanan Nair, Amina Taleb-Ibrahimi, Antonio Tejeda, Yves Garreau, Alina Vlad, Alessandro Coati, Paul F. Miceli, and Edward H. Conrad

ACS Publications

The mid-infrared polarization of the Herbig Ae star WL 16: an interstellar origin?

H. Zhang, C.M. Telesco, E. Pantin, D. Li, C.M. Wright, N. Marinas, P. Barnes, Aigen Li, & C. Peckham

Monthly Notices of the Royal Astronomical Society

Detection of Polarized Infrared Emission by Polycyclic Aromatic Hydrocarbons in the MWC 1080 Nebula

H. Zhang, C.M. Telesco, T. Hoang, Aigen Li, E. Pantin, C.M. Wright, D. Li, P. Barnes

The Astrophysical Journal

Laser-Induced Monolithic Fabrication of Flexible ZnS/SnO2 Ultraviolet Photodetectors with Lateral Graphene Electrodes

Laser-Induced Monolithic Fabrication of Flexible ZnS/SnO₂ Ultraviolet Photodetectors with Lateral Graphene Electrodes

C. Zhang, Y. Xie, H. Deng, T. Tumlin, C. Zhang, J. Su, P. Yu, and J. Lin

Small

Spatial Convolution for Mirror Image Suppression in Fourier Domain Optical Coherence Tomography

M. Zhang, L. Ma, and P. Yu

Optics Letters

Probing Nonlinear Optical Coefficients in Self-Assembled Peptide Nanotubes

Probing Nonlinear Optical Coefficients in Self-Assembled Peptide Nanotubes S. Khanra, K. Ghosh, F. Ferreira, W. Alves, F. Punzo, P. Yu, and S. Guha

Phys. Chem. and Chem. Phys

On Graphene in the Interstellar Medium

X.H.Chen, Aigen Li, K. Zhang

The Astrophysical Journal

Interstellar Silicon Depletion and the Ultraviolet Extinction

Ajay Mishra, Aigen Li

The Astrophysical Journal

Insight on the silver catalyst distribution during silicon nanowire array formation: an X-ray reflectivity study

Jesse W. Kremenak, Christopher J. Arendse, Franscious R. Cummings, Yiyao Chen, Paul F. Miceli

Nanoscale

Electronic fitness function for screening semiconductors as thermoelectric materials

G. Xing, J. Sun, X. Fan, W. Zheng and D.J. Singh

Physical Review Materials

Diffuse Interstellar Bands and the Ultraviolet Extinction Curves: The Missing Link Revisited

F.Y. Xiang, Aigen Li & J.X. Zhong

The Astrophysical Journal

On the silicate crystallinities of oxygen-rich evolved stars and their mass-loss rates

J.M. Liu, B.W. Jiang, Aigen Li & J. Gao

Monthly Notices of the Royal Astronomical Society

Silicate Dust in Active Galactic Nuclei

Y.X. Xie, Aigen Li and L. Hao

The Astrophysical Journal Supplement Series

Polycyclic Aromatic Hydrocarbons in Protoplanetary Disks around Herbig Ae/Be and T Tauri Stars

JiYeon Seok & Aigen Li

The Astrophysical Journal

Polycyclic Aromatic Hydrocarbons with Aliphatic Sidegroups: Intensity Scaling for the C-H Stretching Modes and Astrophysical Implications

X.J. Yang, Aigen Li, R. Glaser & J.X. Zhong

The Astrophysical Journal

The carriers of the unidentified infrared emission features: Clues from polycyclic aromatic hydrocarbons with aliphatic sidegroups

X.J. Yang, R. Glaser, Aigen Li & J.X. Zhong

New Astronomy Reviews

On the Optical-to-silicate Extinction Ratio as a Probe of the Dust Size in Active Galactic Nuclei

Z.Z. Shao, B.W. Jiang & Aigen Li

The Astrophysical Journal

Predicted lowest-energy structures of (a) MgPb2O3, (b) Ca/SrPb2O3, (c) BaPb2O3, (d) MgPbO2, and (e) Ca/Sr/BaPbO2 as found by first principles crystal structure search

Y. Li, L. Zhang and D.J. Singh

Physical Review Materials 1, 055001 (2017).

Single-Molecule Peptide–Lipid Affinity Assay Reveals Interplay between Solution Structure and Partitioning

T.R. Matin, K.P. Sigdel, M. Utjesanovic, B.P. Marsh, F. Gallazzi, V.F. Smith, I. Kosztin, & G.M. King

ACS Publications, Langmuir, 2017, 33 (16), pp 4057–4065

SERS active self-assembled diphenylalanine micro/nanostructures: A combined experimental and theoretical investigation

S. Kogikoski Jr., S. Khanra, W. A. Alves, and S. Guha

J. Chem. Phys. 147, 084703 (2017)

Hybrid ZnO-organic semiconductor interfaces in photodetectors: A comparison of two near-infrared donor-acceptor copolymers

A. Pickett, A. Mohapatra, A. Laudari, S. Khanra, T. Ram, S. Patil, and S. Guha

Organic Electronics 45, 115 (2017)

Poisson-like height distribution of Ag nanoislands on Si(111) 7×7

Yiyao Chen, M. W. Gramlich, S. T. Hayden, and P. F. Miceli

Phys. Rev. B 95, 035419

Mott metal-insulator transition in the doped Hubbard-Holstein model

Jamshid Moradi Kurdestany and S. Satpathy

PHYSICAL REVIEW B 96, 085132 (2017)

Theory of current-induced spin polarization in an electron gas

Cosimo Gorini, Amin Maleki Sheikhabadi, Ka Shen, Ilya V. Tokatly, Giovanni Vignale, and Roberto Raimondi

PHYSICAL REVIEW B 95, 205424 (2017)

Electrically induced charge-density waves in a two-dimensional electron liquid:
Effects of negative electronic compressibility

Erica E. Hroblak, Alessandro Principi, Hui Zhao, and Giovanni Vignale

PHYSICAL REVIEW B 96, 075422 (2017)

U(1)×SU(2) gauge invariance made simple for density functional approximations

S. Pittalis, G. Vignale, and F. G. Eich

PHYSICAL REVIEW B 96, 035141 (2017)

Effective mass of quasiparticles from thermodynamics

F. G. Eich, Markus Holzmann, G. Vignale

PHYSICAL REVIEW B 96, 035132 (2017)

Transient particle current trough a quantum dot

Functional theories of thermoelectric phenomena

F. G. Eich, M. Di Ventra, and G Vignale

J. Phys.: Condens. Matter 29 (2017) 063001 (25pp)

Metric Theories of Gravity: Perturbations and Conservation Laws

Petrov, Alexander, Kopeikin, Sergei, Lompay, Robert, Tekin, Bayram

De Gruyter Studies in Mathematical Physics 38

Properties of the antiferromagnetic selenite MnSeO₃ and its non-magnetic analogue ZnSnO₃ from first principles calculations

C J Honer, M J Prosniewski, A Putatunda and David J Singh

J. Phys.: Condens. Matter 29 (2017) 405501 (6pp)

Computational modelling of the thermoelectric properties of p-type Zintl compound CaMg2Bi2

Computational modelling of the thermoelectric properties of p-type Zintl compound CaMg₂Bi₂

Jifeng Sun, Jing Shuai, Zhifeng Ren, David J. Singh

Materials Today Physics 2 (2017) 40e45

The gas-to-extinction ratio and the gas distribution in the Galaxy

Hui Zhu, Wenwu Tian, Aigen Li, Mengfei Zhang

Monthly Notices of the Royal Astronomical Society 471, 3494 (2017)

Midscale Research Infrastructure Workshop	Congratulations to our 2020 graduates! Top left: Jared Kester, Erica Dykes, Phillip Hegeman, Brian Hybben Bottom left: Josh Miles, Blake Goehman, Connor Penrod, Tyler Kling
Lisa Shepard wins the Chambliss Astronomy Achievement Student Award	Dr. Sorb Yesudhas receives APS post-doctoral travel award
Prof. Guang Bian receives President’s Award for Early Career Excellence	Physics Leaders Meeting 2019
Alumnus Gifts $1.28 Million in Support of Physics, Astronomy Department of Physics and Astronomy chair Sashi Satpathy looks on as Chancellor Alexander Cartwright thanks Ron and Cathy Boain for their generous gift to the department.	New theory unlocks the secret behind protein-membrane interaction Prof. Ioan Kosztin (left) developed a theoretical model that shows there is more than one way a protein can break free of the membrane involving several different pathways. Prof. Gavin King (right) used high precision atomic force microscopy experiments to measure the force required for proteins to break free from the membrane.

University of Missouri

Recent Faculty Publications

Understanding the lattice thermal conductivity of SrTiO3 from an ab initio perspective

Thermal conductivity of perovskite KTaO3 and PbTiO3 from first principles

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