A5089030114- Machine Learning in Materials Science
- nanoparticles nucleation surface interactions
- Catalytic Processes in Materials Science
- Catalysis and Oxidation Reactions
- Reconstructive Facial Surgery Techniques
- Reconstructive Surgery and Microvascular Techniques
- Advanced Chemical Physics Studies
- Salivary Gland Tumors Diagnosis and Treatment
- Wound Healing and Treatments
- Mass Spectrometry Techniques and Applications
- Oral and Maxillofacial Pathology
- Nasal Surgery and Airway Studies
- Magnetic and transport properties of perovskites and related materials
- Orthopedic Surgery and Rehabilitation
- Multiferroics and related materials
- Advanced Condensed Matter Physics
- Ear and Head Tumors
- Advanced Materials Characterization Techniques
- Cleft Lip and Palate Research
- Breast Implant and Reconstruction
- Soft tissue tumor case studies
- Mesenchymal stem cell research
- Vascular Malformations and Hemangiomas
- Theoretical and Computational Physics
- Neural Networks and Applications
University of California, Los Angeles
2020-2025
Sangji University
2023
Weatherford College
2022
Harvard University
2018-2022
Harvard University Press
2019-2022
St. Vincent's Hospital
2008-2022
Lawrence Berkeley National Laboratory
2020
University of Pennsylvania
2015-2018
Catholic University of Korea
2009-2017
Creative Commons
2017
Accurate modeling of chemically reactive systems has traditionally relied on either expensive ab initio approaches or flexible bond-order force fields such as ReaxFF that require considerable time, effort, and expertise to parameterize. Here, we introduce FLARE++, a Bayesian active learning method for training many-body the fly during molecular dynamics (MD) simulations. During automated loop, predictive uncertainties sparse Gaussian process (SGP) field are evaluated at each timestep an MD...
Blowout fractures are one of the commonly occurring facial bone and clinically important, as they may cause serious complications such diplopia, extraocular movement limitation, enophthalmos. The purpose this study was to evaluate current patient demographics surgical outcomes 952 pure blowout from 2 hospitals Catholic University Korea, 2003 2011. medical records were reviewed according cause, fracture site, ocular symptoms, time operation, sequela. Male patients outnumbered female patients,...
Abstract Rational catalyst design is crucial toward achieving more energy-efficient and sustainable catalytic processes. Understanding modeling reaction pathways kinetics require atomic level knowledge of the active sites. These structures often change dynamically during reactions are difficult to decipher. A prototypical example hydrogen-deuterium exchange catalyzed by dilute Pd-in-Au alloy nanoparticles. From a combination activity measurements, machine learning-enabled spectroscopic...
The restructuring of interfaces plays a crucial role in materials science and heterogeneous catalysis. Bimetallic systems, particular, often adopt very different compositions morphologies at surfaces compared to the bulk. For first time, we reveal detailed atomistic picture long-time scale Pd deposited on Ag using microscopy, spectroscopy, novel simulation methods. By developing performing accelerated machine-learning molecular dynamics followed by an automated analysis method, discover...
Dynamic restructuring of bimetallic catalysts plays a crucial role in their catalytic activity and selectivity. In particular, catalyst pretreatment with species such as carbon monoxide oxygen has been shown to be an effective strategy for tuning the surface composition morphology. Mechanistic kinetic understanding is fundamental chemistry engineering active sites but remained challenging due large structural, chemical, temporal degrees freedom. Here, we combine time-resolved...
NTRODUCTIONThe healing of cutaneous wounds is a complex process that requires the integration biological and molecular events such as cell migration proliferation, extracellular matrix (ECM) deposition, angiogenesis, remodeling (1).However, this orderly progression impaired in many chronic diseases, as, diabetes (2).During past two decades, substantial progress has been made with respect to our understanding pathophysiology wound healing; new therapeutic methods have developed.However,...
Supported Pd-Au bimetallic nanoparticles make up a promising class of catalysts used for hydrogenation and oxidation reactions. Recently, the role dynamic restructuring Pd regions at near nanoparticle surface in response to modulating gas (H2 O2) concentrations was highlighted controlling oxide stoichiometry. Here, we investigate mechanism formation decomposition hydride (PdHx) surfaces, key species activity, selectivity, stability many We employ modulation excitation X-ray absorption...
We employ the fully anisotropic $\mathrm{DFT}+U+J$ approach with PBEsol functional to investigate ground-state magnetic and electronic properties of bulk binary manganese oxides: MnO, ${\mathrm{Mn}}_{3}{\mathrm{O}}_{4}, \ensuremath{\alpha}\ensuremath{-}{\mathrm{Mn}}_{2}{\mathrm{O}}_{3}$, $\ensuremath{\beta}\ensuremath{-}{\mathrm{MnO}}_{2}$, in order increasing Mn valence. The computed crystal structures, noncollinear ground states, corresponding structures are good agreement experimental...
Quantum-mechanically accurate reactive molecular dynamics (MD) at the scale of billions atoms has been achieved for heterogeneous catalytic system H$_2$/Pt(111) using FLARE Bayesian force field. This achievement provides accelerated time-to-solution from first principles, with active learning enabling efficient and autonomous training machine model. The resulting model is then deployed in LAMMPS on GPUs Kokkos performance portability library. field quantitative uncertainty predictions every...
In this study of a developed soft tissue filler, adipose equivalents were constructed using stem cells (ASCs) and micronized acellular dermal matrix (Alloderm).After labeling cultured human ASCs with fluorescent green protein attaching them to Alloderm (5× ×10 5 cells/1 mg), ASC-Alloderm complexes in adipogenic differentiation media for 14 days then injected into the dorsal cranial region nude male mice.The viabilities determined at 1, 4, 7, days, complexes, which had been implanted vivo 2...
Abstract Background This study evaluates several tumor‐related markers to examine the expression pattern of according invasiveness and histopathologic differentiation squamous cell carcinoma basal carcinoma. Methods Ninety‐four cases 108 using tissue array in order determine correlations between Ki‐67, p53, EGFR, CD44v6, MMP‐1 MMP‐3, histologic differentiation. In invasiveness, we measured depth invasion resected tissues. Results The showed a correlation with CD44v6 tumor both ( P = 0.009 ,...
Surface restructuring in bimetallic systems has recently been shown to play a crucial role heterogeneous catalysis. In particular, the segregation binary alloys can be reversed presence of strongly bound adsorbates. Mechanistic characterization such phenomena at atomic level remains scarce and challenging because large configurational space that must explored. To this end, we propose an automated method discover elementary surface processes unbiased fashion using Pd/Ag as example. We employ...
The noncollinear cycloidal magnetic order breaks the inversion symmetry in CaMn$_{7}$O$_{12}$, generating one of largest spin-orbit driven ferroelectric polarizations measured to date. In this Letter, microscopic origin polarization, including its direction, charge density redistribution, exchange interactions, and coupling spin helicity, is explored via first principles calculations. Berry phase computed polarization exhibits almost pure electronic behavior, as Mn displacements are...
Skin-sparing mastectomy with immediate breast reconstruction is increasingly becoming a proven surgical option for early-stage cancer patients. Areola-sparing (ASM) has also recently become popular procedure. The purpose of this article to investigate the reconstructive and aesthetic issues experienced one-stage nipple using ASM.Among patients who underwent between March 2008 2010, 5 women low probability nipple-areolar complex malignant involvement ASM simultaneous modified C-V flap....
We report on the electronic phase transition in CaMn7O12 quadruple perovskite films synthesized by oxide molecular beam epitaxy SrLaAlO4 and La0.3Sr0.7Al0.65Ta0.35O3 substrates. use x-ray diffraction transmission electron microscopy to confirm that has been realized. Temperature dependent resistivity measurements reveal a signature of charge ordering at ≈425 K, consistent with bulk CaMn7O12. The temperature is found be relatively invariant changes cation stoichiometry. Density functional...
Most malignant lymphomas of the head and neck region are non-Hodgkin (NHL), diffuse large B-cell lymphoma is most common subtype. The prevalence among parotid tumors low, approximately 1% to 4%. symptom a unilateral, non-tender, firm mass that slowly grows in size over time. As its clinical manifestations non-specific, comprehensive assessment required for an accurate diagnosis. initial work-up includes imaging tools, such as computed tomography magnetic resonance imaging. However, NHL gland...
Dermatofibrosarcoma protuberans (DFSP) is a relatively unusual fibrohistiocytic tumor that classified as an intermediate-grade malignancy [[1],[2]]. DFSP characterized by infiltrative growth and high propensity for local recurrence after surgical excision [[1]-[4]]. Despite its locally aggressive behavior, has little metastatic potential [[1] [2] [3] [4]], when distant metastasis does occur, it almost always arises repeated recurrences usually involves lung, bone, or locoregional lymph nodes...
Pleomorphic adenoma is the most common type of salivary gland tumor and parotid gland. Because its propensity for invasion, pleomorphic requires superficial parotidectomy or total to minimize risk recurrence. We report a case with repeated recurrences. A 23-year-old male patient presented protruding neck mass. Six years prior this presentation, had undergone removal right at our institution. The experienced recurrence 17 months after initial resection, which required partial resection facial...
Purpose: Intravenous lipid emulsions have been used to treat the systemic toxicity of local anesthetics.The goal this in vitro study was examine effects on norepinephrine-mediated reversal vasodilation induced by high doses levobupivacaine, ropivacaine, and mepivacaine isolated endothelium-denuded rat aorta, determine whether such are associated with solubility anesthetics.Materials Methods: The (0.30, 0.49, 1.40, 2.61%) norepinephrine concentration-responses high-dose anesthetic (6×10 -4 M...
Abstract Atomistic modeling of chemically reactive systems has so far relied on either expensive ab initio methods or bond-order force fields requiring arduous parametrization. Here, we describe a Bayesian active learning framework for autonomous ``on-the-fly'' training fast and accurate many-body during molecular dynamics simulations. At each time step, predictive uncertainties sparse Gaussian process are evaluated to automatically determine whether additional data needed. We introduce...
Restructuring of interfaces plays a crucial role in materials science and heterogeneous catalysis. Bimetallic systems, particular, often adopt very different composition morphology at surfaces compared to the bulk. For first time, we reveal detailed atomistic picture long-timescale restructuring Pd deposited on Ag, using microscopy, spectroscopy, novel simulation methods. By developing performing accelerated machine-learning molecular dynamics followed by an automated analysis method,...