B. Sadigh

发表

First-principles calculations of the Urbach tail in the optical absorption spectra of silica glass.

J. Bude, B. Sadigh, P. Erhart, 2011, Physical review letters.

Ab initio energetics of boron-interstitial clusters in crystalline Si

T. Lenosky, B. Sadigh, S. Theiss, 2000 .

First-passage kinetic Monte Carlo method.

M. Kalos, A. Donev, B. Sadigh, 2009, Physical review. E, Statistical, nonlinear, and soft matter physics.

First-passage Monte Carlo algorithm: diffusion without all the hops.

M. Kalos, B. Sadigh, V. Bulatov, 2006, Physical review letters.

Calculation of excess free energies of precipitates via direct thermodynamic integration across phase boundaries

B. Sadigh, P. Erhart, 2011, 1111.1880.

Embedded-atom-method study of structural, thermodynamic, and atomic-transport properties of liquid Ni-Al alloys

D. Morgan, B. Sadigh, J. Hoyt, 1999 .

Nanosecond Freezing of Water at High Pressures: Nucleation and Growth near the Metastability Limit.

B. Sadigh, L. Benedict, P. C. Myint, 2018, Physical review letters.

Kinetic phase field parameters for the Cu–Ni system derived from atomistic computations

Babak Sadigh, Stephen M. Foiles, Mark Asta, 1999 .

Free energy generalization of the Peierls potential in iron.

B. Sadigh, M. Gilbert, J. Marian, 2013, Physical review letters.

Atomistic simulations of grain boundary pinning in CuFe alloys

L. Zepeda-Ruiz, B. Sadigh, G. Gilmer, 2005 .

Efficient implementation of the concentration-dependent embedded atom method for molecular-dynamics and Monte-Carlo simulations

B. Sadigh, P. Erhart, A. Stukowski, 2009 .

Short-range order and precipitation in Fe-rich Fe-Cr alloys: Atomistic off-lattice Monte Carlo simulations

B. Sadigh, P. Erhart, A. Caro, 2008, 1009.0511.

Origin of resolution enhancement by co-doping of scintillators: Insight from electronic structure calculations

B. Sadigh, P. Erhart, A. Schleife, 2014, 1404.6554.

Dynamics of self-interstitial cluster migration in pure α-Fe and Fe-Cu alloys

J. M. Perlado, B. Sadigh, J. Marian, 2002 .

Ab initio study of the martensitic bcc-hcp transformation in iron

P. Blaha, B. Sadigh, M. Ekman, 1998 .

Electron correlation and relativity of the 5f electrons in the U-Zr alloy system

B. Sadigh, P. Turchi, V. Lordi, 2013 .

Transformations in the medium-range order of fused silica under high pressure.

S. Risbud, B. Sadigh, M. Caturla, 2003, Physical review letters.

Test of the universal scaling law for the diffusion coefficient in liquid metals.

B. Sadigh, J. Hoyt, M. Asta, 2000, Physical review letters.

Erratum: Variational polaron self-interaction-corrected total-energy functional for charge excitations in insulators [Phys. Rev. B 92, 075202 (2015)]

B. Sadigh, P. Erhart, D. Åberg, 2015 .

Ab initio prediction of fast non-equilibrium transport of nascent polarons in SrI 2 : a key to high-performance scintillation

B. Sadigh, P. Erhart, D. Åberg, 2016, 1604.01078.

First-principles calculation of intrinsic defect formation volumes in silicon

T. Lenosky, B. Sadigh, T. D. Rubia, 2005, cond-mat/0508329.

Medium-range order in a simple monatomic liquid

B. Sadigh, M. Dzugutov, S. Elliott, 1998 .

Density-functional calculations of alpha, beta, gamma, delta, delta', and epsilon plutonium.

B. Sadigh, P. Söderlind, 2004, Physical review letters.

Density-functional calculations of α, β, γ, δ, δ', and ε plutonium

B. Sadigh, P. Söderlind, 2004 .

Threats to ICF reactor materials: computational simulations of radiation damage induced topological changes in fused silica

B. Sadigh, M. Caturla, T. D. Rubia, 2003 .

Universality of liquid dynamics

S. Sastry, B. Sadigh, M. Dzugutov, 2005, cond-mat/0509458.

Are there stable long-range ordered Fe1−xCrx compounds?

B. Sadigh, P. Erhart, A. Caro, 2008, 1009.0510.

An iterative unbiased geometric approach to identifying crystalline order and disorder via denoising score function model

Cheol Woo Park, B. Sadigh, James Chapman, 2022 .

Score-based denoising for atomic structure identification

Cheol Woo Park, B. Sadigh, V. Bulatov, 2022, ArXiv.

Computational Investigation of Electron Small Polarons in α-MoO3

V. Ozoliņš, B. Sadigh, F. Zhou, 2014 .

Gallium stabilization of δ-Pu : Density-functional calculations

B. Sadigh, W. Wolfer, 2005 .

Density-functional investigation of magnetism in δ -Pu

B. Sadigh, P. Söderlind, A. Landa, 2002 .

Electronic structure of chromia aerogels from soft x-ray absorption spectroscopy

T. Baumann, J. Satcher, A. Gash, 2007 .

An atomistic theory of nucleation: Self-organization via non-equilibrium work and fluctuations

B. Sadigh, J. Belof, M. Murialdo, 2022, Journal of Crystal Growth.

Density-functional theory for plutonium

B. Sadigh, P. Söderlind, A. Landa, 2019, Advances in Physics.

Effects of vibrational entropy on the Al–Si phase diagram

V. Ozoliņš, B. Sadigh, M. Asta, 2005 .

Synthesis and Characterization of the Nitrides of Platinum and Iridium

Babak Sadigh, Jonathan C. Crowhurst, Alexander F. Goncharov, 2006, Science.

VACANCY ORDERING AND MEDIUM-RANGE STRUCTURE IN A SIMPLE MONATOMIC LIQUID

B. Sadigh, M. Dzugutov, S. Elliott, 1999 .

Properties of carbon up to 10 million kelvin from Kohn-Sham density functional theory molecular dynamics.

B. Sadigh, Phanish Suryanarayana, J. Pask, 2021, Physical review. E.

Inducing order using nanolaminate templates

B. Sadigh, C. Orme, T. Barbee, 2011 .

Scalable parallel Monte Carlo algorithm for atomistic simulations of precipitation in alloys

Alfredo Caro, Babak Sadigh, Alexander Stukowski, 2010, 1012.5082.

Vibrational properties of straight dislocations in bcc and fcc metals within the harmonic approximation

J. B. Adams, B. Sadigh, J. Marian, 2009 .

Ground-State and Thermodynamical Properties of Uranium Mononitride from Anharmonic First-Principles Theory

Babak Sadigh, Tae Wook Heo, Per Söderlind, 2019, Applied Sciences.

Density changes in Ga-stabilized δ-Pu, and what they mean

B. Sadigh, M. Surh, A. Kubota, 2007 .

PHONON INSTABILITIES IN FCC AND BCC TUNGSTEN

V. Ozoliņš, B. Sadigh, G. Grimvall, 1997 .

Assessing Relativistic Effects and Electron Correlation in the Actinide Metals Th to Pu

B. Sadigh, P. Söderlind, A. Landa, 2019, Applied Sciences.

Ab initio calculations for void swelling bias in α - and δ -plutonium

B. Sadigh, M. Surh, N. Goldman, 2022, Physical Review Materials.

Thermodynamic and mechanical properties of copper precipitates in alpha-iron from atomistic simulations

B. Sadigh, P. Erhart, J. Marian, 2013, 1304.6187.

Pressure-induced changes in the electronic structure of americium metal

B. Sadigh, P. Söderlind, A. Landa, 2011 .

Ab initio calculations for void swelling bias in $\alpha$ and $\delta$-plutonium

B. Sadigh, M. Surh, N. Goldman, 2021, 2111.07012.

First-principles elastic constants and phonons of $\delta$-Pu

B. Sadigh, A. Landa, Per A. S oderlind, 2004 .

Geometry and electronic structure of a-Pu: A theoretical study

B. Sadigh, W. Wolfer, 2003 .

Multiscale modeling of point defect interactions in Fe–Cr alloys

B. Sadigh, B. Wirth, J. Shim, 2009 .

Quasiparticle spectra, absorption spectra, and excitonic properties of NaI and SrI2 from many-body perturbation theory

B. Sadigh, P. Erhart, A. Schleife, 2013, 1311.3502.

Effect of wetting on nucleation and growth of D2 in confinement.

L. Zepeda-Ruiz, B. Sadigh, A. Chernov, 2018, The Journal of chemical physics.

MECHANISM OF BORON DIFFUSION IN SILICON : AN AB INITIO AND KINETIC MONTE CARLO STUDY

Babak Sadigh, Silva K. Theiss, T. Lenosky, 1999 .

Large enhancement of boron solubility in silicon due to biaxial stress

S. Louie, T. Lenosky, M. Giles, 2002 .

Semi-Automated Creation of Density Functional Tight Binding Models through Leveraging Chebyshev Polynomial-Based Force Fields.

L. Fried, B. Sadigh, T. Heo, 2021, Journal of chemical theory and computation.

Synthesis and characterization of nitrides of iridium and palladium

B. Sadigh, D. Åberg, Y. Meng, 2008 .

Atomic scale models of ion implantation and dopant diffusion in silicon

M. Johnson, T. Lenosky, B. Sadigh, 1999 .

Metastable–solid phase diagrams derived from polymorphic solidification kinetics

L. Zepeda-Ruiz, B. Sadigh, J. Belof, 2021, Proceedings of the National Academy of Sciences.

Computational study of the energetics and defect clustering tendencies for Y- and La-doped UO2

B. Sadigh, M. Asta, A. Navrotsky, 2014 .

Structural modifications in fused silica due to laser-damage-induced shock compression

Michael D. Feit, Alexander M. Rubenchik, Alison Kubota, 2002, SPIE Laser Damage.

Highly optimized empirical potential model of silicon

Arthur F. Voter, Babak Sadigh, Vasily V. Bulatov, 2000 .

A First-Passage Kinetic Monte Carlo algorithm for complex diffusion-reaction systems

Aleksandar Donev, Tomas Oppelstrup, Babak Sadigh, 2009, J. Comput. Phys..

Coupling solidification kinetics with phase-behavior computations in hydrodynamic simulations of high-pressure, dynamic-compression processes

B. Sadigh, L. Benedict, P. C. Myint, 2020 .

Compressive sensing lattice dynamics. II. Efficient phonon calculations and long-range interactions

V. Ozoliņš, B. Sadigh, D. Åberg, 2018, Physical Review B.

First-principles calculation of free Si(100) surface impurity enrichment

B. Sadigh, T. D. Rubia, G. Gilmer, 2005 .

Efficacy of the DFT + U formalism for modeling hole polarons in perovskite oxides

B. Sadigh, P. Erhart, A. Klein, 2014, 1402.0435.

Score-based denoising for atomic structure identification

Cheol Woo Park, B. Sadigh, V. Bulatov, 2022, ArXiv.

Extraction of effective solid-liquid interfacial free energies for full 3D solid crystallites from equilibrium MD simulations.

L. Zepeda-Ruiz, B. Sadigh, L. Benedict, 2017, The Journal of chemical physics.

Space- and time-resolved small angle X-ray scattering to probe assembly of silver nanocrystal superlattices

B. Sadigh, C. Orme, Yixuan Yu, 2018, Nature Communications.

Space- and time-resolved small angle X-ray scattering to probe assembly of silver nanocrystal superlattices

Babak Sadigh, Yixuan Yu, B. Sadigh, 2018, Nature Communications.

Comment on "new pseudophase structure for alpha-Pu".

B. Sadigh, P. Söderlind, K. Moore, 2004, Physical review letters.

Comment on: New pseudophase structure for α-pu. Authors' reply

B. Sadigh, J. Bouchet, R. Albers, 2004 .

Composition-dependent interatomic potentials: A systematic approach to modelling multicomponent alloys

B. Sadigh, P. Erhart, A. Stukowski, 2009, 1201.6284.

Mechanical response of freestanding Au nanopillars under compression

L. Zepeda-Ruiz, B. Sadigh, A. Hamza, 2007 .

Self-supervised learning and prediction of microstructure evolution with convolutional recurrent neural networks

Yifan Cao, Babak Sadigh, Ming Tang, 2021, Patterns.

Experimental and theoretical examination of shock-compressed copper through the fcc to bcc to melt phase transitions

Raymond F. Smith, B. Sadigh, J. Eggert, 2022, Journal of Applied Physics.

Thermodynamic ground states of platinum metal nitrides.

Babak Sadigh, Daniel Aberg, B. Sadigh, 2007, Physical review letters.

Computer modeling of laser melting and spallation of metal targets

Babak Sadigh, Leonid V. Zhigilei, Dmitriy S. Ivanov, 2004, SPIE High-Power Laser Ablation.

Structural instability and electronic excitations in Nb 3 Sn

V. Ozoliņš, B. Sadigh, 1998 .

Pressure-induced phase transition in the electronic structure of palladium nitride

B. Sadigh, P. Erhart, A. Goncharov, 2010, 1009.0041.

Adaptive importance sampling Monte Carlo simulation of rare transition events.

Tomas Oppelstrup, Babak Sadigh, Maurice de Koning, 2005, The Journal of chemical physics.

Short-Range Order and Phase Stability of Surface Alloys: PdAu on Ru(0001)

Norman C. Bartelt, Vidvuds Ozolins, Andreas K. Schmid, 1999 .

Magnetostructural Transition Kinetics in Shocked Iron.

B. Sadigh, L. Benedict, M. Surh, 2016, Physical review letters.

First-principles study of codoping in lanthanum bromide

B. Sadigh, P. Erhart, A. Schleife, 2015, 1504.04752.

First-principles-based predictive simulations of B diffusion and activation in ion implanted Si

T. Lenosky, M. Giles, B. Sadigh, 2000, 2000 International Conference on Simulation Semiconductor Processes and Devices (Cat. No.00TH8502).

Spectral-partitioned Kohn-Sham density functional theory.

B. Sadigh, D. Åberg, J. Pask, 2023, Physical review. E.

The computational modeling of alloys at the atomic scale: From ab initio and thermodynamics to radiation-induced heterogeneous precipitation

E. M. Lopasso, S. G. Srinivasan, B. Sadigh, 2007 .

Effects of Local Solute Ordering and Plasticity on the Delta to Alpha Transformation in Gallium‐Stabilized Plutonium Alloys

B. Sadigh, C. Krenn, A. Schwartz, 2003 .

Test of the universal scaling law for the diffusion coefficient in liquid metals.

B. Sadigh, M. Asta, Jeffrey J. Hoyt, 2000, Physical review letters.