Thaicia Stona de Almeida [email protected]

t [email protected] Applied Mathematics & Data-Driven Discovery in the Sciences www.ime.usp.br/~thaicia “My current research interests are at the interface between www.buffalo.edu/~thaicias

quantitative analysis of biomaterials, image processing, orcid.org/0000-0002-3955-329X statistical and data-driven decision and optimization methods, arxiv.org/a/stonadealmeida_t_1

and geometric QSPR models for materials and other sciences.” linkedin.com/thaiciastonadealmeida

EDUCATION

Ph.D. candidate, Materials Design & Innovation 2 019-(2021) Sch. Engineering and Applied Sciences, University at Buffalo Thesis: “Structur e-Bonding Relationships in Perovskites: Statistics of Hirshfeld Surfaces”

Ph.D. Mathematics 2 021–(2024) Research Centre for Mathematics and Applications, University of Évora

M.Sc. Materials Design & Innovation 2017–2018 Sch. Engineering and Applied Sciences, University at Buffalo Thesis: “Automatic High Throughput Structure Feature Extraction from SEM Images of Mycelium: Towards QSPR of Fibrous Structure for High Performance Membranes”

B.Sc. Applied Mathematics 2007–2011 Institute of Mathematics and Statistics, University of São Paulo Thesis: “Factorization in Quadratic Number Rings”

RESEARCH EXPERIENCE

Research assistant 08/2017–04/2021 School of Engineering & Applied Sciences, University at Buffalo, USA • Quantitative, Statistical and Geometrical-Visualization Tools for Data-Driven Materials Science (R language)

Teaching & research assistant 10/2015–09/2016 Institute of Mathematics, University of Wuerzburg, Germany • Assistant professor for undergraduate courses; Dpt. Applied Mathematics

Visiting researcher 09/2014–12/2014 Fields Institute for Research in Mathematical Sciences, Toronto, Canada • Geometric study of the Wulff operator & the Crystalline Anisotropic Problem; Thematic Program in Variational Problems

Research assistant 09/2013–09/2015 Polytechnic School of Engineering, University of São Paulo, Brazil • Computational assistance for research in metallic alloys defects, molecular dynamics; Monte Carlo optimization (R language)

Research & TA 07/2010–12/2011 School of Economics, Business & Accounting, University of São Paulo, Brazil • Computational research assistance in Asset Liability Management and Pension Funds; Monte Carlo optimization (R language)

Undergraduate research fellowship 08/2007–07/2009 Institute of Mathematics and Statistics, University of São Paulo, Brazil • ‘Chaotic Dynamical Systems’, ‘Differential Geometry’, 'Minimal Surfaces', ‘Riemannian Geometry’, ‘Factorization Rings’

CORPORA TE EXPERIENCE

Small business owner: Stona 0 1/2013–present CNPJ 17.428.550/0001-09, São Paulo, Brazil

• S tona’s mission is to promote mathematical literacy and its applications through quantitative training, technical consulting and

editorial/publishing services. Services provided to global companies: 99Taxis, Pearson, Santillana/Prisa

Intelligence Specialist 02/2017–06/2017 Repom-Edenred, Alphaville, Brazil • Financial Forecasting; Data mining and modeling; Statistical Training for Business Intelligence team (R language)

Computational Finance Internship 03/2011–01/2012 PPS Portfolio Performance, São Paulo, Brazil • Financial Programmer Analyst for Asset & Liability Management and Portfolio Optimization (R language)

PUBLICA TIONS AND PREPRINTS

Convex Geometric Reasoning for Crystalline Energies Caspian Journal of Computational & Mathematical Engineering, 2016, 51-62 ( a rXiv:2102.12683 ) T Stona de Almeida

‘‘The present work revisits the classical Wulff problem restricted to crystalline integrands, a class of surface energies that gives rise to finitely faceted crystals. The general proof of the Wulff theorem was given by J.E. Taylor (1978) by methods of Geometric Measure Theory. This work follows a simpler and direct way through Minkowski Theory by taking advantage of the convex properties of the considered Wulff shapes.’ ’

Keywords: Wulff shape; energy minimization; anisotropy; surface energy; geometric inequality MSC: 35A15-V ariational methods; 49J40-Variational inequalities; 49K20-Problems involving PDEs; 49Q10-Shape optimization other than minimal surfaces; 52B60-Isoperimetric problems for polytopes; 82D25-Crystals

Mining Artifacts in Mycelium SEM Micrographs Preprint: a rXiv:2103.07573 T Stona de Almeida

‘‘Mycelium is a promising biomaterial based on fungal mycelium, a highly porous, nanofibrous structure. Scanning electron micrographs are used to characterize its network, but the currently available tools for nanofibrous microstructures do not contemplate the particularities of biomaterials. The adoption of a software for artificial nanofibrous microstructure for mycelium characterization adds the uncertainty of imaging artifact formation to the analysis. The reported work combines supervised and unsupervised machine learning methods to automate the identification of artifacts in the mapped pores of mycelium microstructure.’ ’

Keywords: Machine learning; unsupervised learning; image processing; mycelium; microstructure informatics

ZIP Code versus Georeference To appear: VI Brazilian Study Group with Industry - M athematics in Industry Reports (M IIR) , Cambridge Open Engage T Stona de Almeida with JL Bazán, CM Russo Novelli, F Marangoni, M Curi, MO Santos, MS Nogueira Rangel, FMB Toledo, L Araujo, M Miranda, V Garibay, DC Guzman, AL Mota, MM Ferreira, LL Burla, FY Ueno, GRR da Silva

‘‘When dealing with predictive modeling, with special focus on the financial segment, risk management and credit granting, we use different sources of attributes: Cadastral, Behavioral, Business/Proposal, Credit Bureaux, in addition to Public, Private or Subsidiaries Sources. Cadastral attributes, such as Age, Income, Education, Profession and Home or Work Address are often eligible as covariates of great discriminatory power. The Postal Address Code in Brazil has a unique contribution capacity (uncorrelated to most attributes) and high discriminatory power (Information Value). This is often based on a partial cut of its nomenclature. In this report we present a preliminary methodology for elaboration of clusters of CEPs by considering information of Default of clients over a period of time. Additionally, we test the number of clusters obtained using Information Value Criteria. We obtain solutions that could be considered promissory. Additionally, methodologies are suggested and could be complementary with the main methodology proposed. Final remarks and suggestions are also included.’’

Keywords: Classification; clustering; geospatial data; optimization; credit risk; machine learning; computational geometry

MANUSCRIPTS IN PREPARATION Mycelium-Based Gradient Porous Structures: A Structure-Property Correlation In submission (no preprint available) T Stona de Almeida w ith J Bie-Kaplan, FZ Chaggan, Z Corey, E Gawronska, P Manimuda, G McIntyre, E Olivero, PC Nalam, O Wodo

‘‘Mycelium has the potential to form a natural gradient porous structure. This paper, for the first time, presents the detailed structure-property characterization at the micro-length scales. We show the structural variation of mycelium along the growth direction. We quantify the structure with a series of structural descriptors and report the gradual changes in the morphologies along with the growth directions. Our results demonstrate the potential to use mycelium as a gradient structure for multiple applications, including membranes, bio-scaffolds, and structural material.’ ’

Keywords: Gradient porous networks; mycelium; micromechanics; image processing; microstructure informatics

Optimization of Segmentation Filter Selection for Nanofiber SEM Images Analysis

T Stona de Almeida ‘‘SEM microscopy-based materials characterization is strongly determined by the appropriate choice of image filters, which makes the image analysis dependent on supervised decisions made by a trained specialist. This work approaches the supervised filter selection and segmentation as an optimal machine learning experimental design problem, where the experiment is the filter parameter to be chosen from the ImageJ palette of filters and DiameterJ tools for nanofibrous micrographs, and several aspects of extracted pore features - pore area, circularity, perimeter, solidity, and more, are

used to rank the decisions.’ ’ Keywords: Optimization; machine learning; image processing; design of experiments; mycelium ; microstructure informatics

HirshfeldeR: R package for Hirshfeld Surface Analysis T Stona de Almeida ‘‘Hirshfeld surface is a level surface method used to estimate electronic distribution for a predefined molecule in a crystal. HirshfeldeR is a R package for exploration of structure-property relationships from features extracted from Hirshfeld surfaces computed with ‘Crystal Explorer’ in CXS format, which includes CIF crystallographic data.”

Keywords: Materials informatics; machine learning; Hirshfeld surface analysis; R statistical language

Vitæ: Thaicia Stona de Almeida 2 fibeR: R tools for DiameterJ plugin and nanofiber characterization with ImageJ

T Stona de Almeida ‘‘The fibeR package for R language is a tool to facilitate statistical analysis of DiameterJ, a plugin for ImageJ software that can process scanning electron microscope images of nanowire and nanofiber microstructures. fibeR automates parametric and non-parametric exploratory analysis, offering excellent visualization options (requires ‘ggplot2’ library).’ ’ Keywords: Machine learning; image processing; R statistical language; microstructure informatics A Geometric Exercise on Hirshfeld Surface Analysis for Organic-Inorganic Perovskites

T Stona de Almeida ‘‘The Hirshfeld surface is defined as the isosurface of electronic distribution by spherical averaged density to a predefined molecule in a crystal. HS can be an alternative to crystallographic cells, joining bonding and structure to create building units for crystalline phases. This work explores

geometric properties of the HS for a class of hybrid perovskites.” Keywords: Materials informatics; machine learning; Hirshfeld surface analysis; hybrid perovskites

Microstructure Characterization of Diverse Hypothetical CNN-Generated Hybrid Mycelium Composites Images

T Stona de Almeida ‘‘A selection of bio-composites patterns and mycelium micrographs are combined using convolutional neural networks to create hypothetical microstructures, some of which are comparable to actual mycelium composites micrographs. The artificial micrographs are then characterized with traditional image analysis tools.’ ’

Keywords: Artificial intelligence; machine learning; image processing; biocomposites; microstructure informatics

CONFERENCE PRESENTATIONS

1. Exploring Catalyst Chemistries beyond Scaling Laws using Statistical Learning (poster) 2019, MRS Fall Meeting, Boston; S Broderick, A Dasgupta, T Stona de Almeida, K Rajan

2. Comprehensive Quantification of the Heterogeneous Structure of Mycelium (poster) 2019, MRS Fall Meeting, Boston; E Oliverio, T Stona de Almeida, P Nalam, O Wodo, J Bie-Kaplan, G McIntyre

3. Data Analytics for Time Series Data: accelerated exploration in new data space (poster) 2019, Toyota Research Institute – Accelerated Materials Design & Discovery Conference; Y Gao, T Stona de Almeida, T Zhang, S Broderick, EB Pitman, K Rajan

4. A Data Driven Analysis of Volcano Plots & Prediction of New Binary Catalysts (poster) 2018, MRS Fall Meeting, Boston; Authors: A Dasgupta, Y Gao, T Stona de Almeida, S Broderick, EB Pitman, K Rajan

5. Application of Topological Data Analysis to Ceramic Systems (poster) 2018, Gordon Conf. Solid State Studies in Ceramics; T Zhang, X Shen, T Stona de Almeida, S Broderick

6. Mapping chemical and processing pathways through manifold learning (poster) 2018, 2nd Erich Bloch Symposium; A Dasgupta, Y Gao, T Stona de Almeida, S Broderick, E B Pitman, K Rajan

7. Incoherence at thin film-substrate interfaces (poster) 2016, Summer School PIRE – Center for Nonlinear Analysis, Carnegie Mellon University; T Stona de Almeida

8. The Mathematics of Equilibrium Shapes: From Geometric Inequalities to the Crystalline Variational Problem (poster) 2015, Current Trends in Analysis and Partial Differential Equations, IMPA, Brazil; T Stona de Almeida

9. Computational investigation of Cottrell atmosphere effect on dislocation glide in BCC iron (talk) 2014, Pan-American Materials Conference, Brazil; T Stona de Almeida, RGA Veiga, JE Guimaraes Silva, H Goldenstein

10. Some relations between Euclidean rings, principal ideal domains & unique factorization domains (talk) 2012, Young Researchers in Mathematics, University of Bristol, United Kingdom; T Stona de Almeida

11. Introduction to one-dimensional discrete dynamical systems (poster) 2008, Biennial Meeting of the Brazilian Mathematical Society, Brazil; T Stona de Almeida

12. Introduction to discrete dynamical systems (poster) 2008, XVI International Symposium of Undergraduate Research, Univ São Paulo, Brazil; T Stona de Almeida

LEADERSHIP AND SERVICE EXPERIENCE Lead Organizer of EIAGIME (nominated) University of São Paulo, Brazil 2009–11 The international undergraduate meeting was organized by students of the Institute of Mathematics and Statistics of the University of São Paulo, Brazil's largest institution dedicated to higher education. Participation was free.

Student Representative (elected positions) 2017–18 Vice-President, MDI Graduate Student Association, University at Buffalo 2009 Undergraduate Committee, Inst. Mathematics and Statistics, Univ. de São Paulo 2008–09 Dpt. and Curriculum Cmte., Undergraduate Applied Mathematics, Inst. Mathematics and Statistics, Univ. São Paulo

Vitæ: Thaicia Stona de Almeida 3 2008 Technical Administrative Council, Inst. Mathematics and Statistics, Univ. São Paulo

Volunteer Work: 2002–05 AME n.g.o. – www .ameamoroso.org.br Mathematics volunteer teacher

AWARDS AND HONORS ❖ 2019 to 2021 SUNY RF Research Fellowship, University at Buffalo ❖ 2018 Best poster award, MRS Fall Meeting & Exhibit ❖ 2018 Gordon Research Conference: Solid State Studies in Ceramics, travel award ❖ 2017 to 2019 Toyota Research Institute Research Fellowship, University at Buffalo ❖ 2017 Graduate Scholarship Full Tuition M.Sc. and Ph.D., University at Buffalo ❖ 2016 PIRE-CNA New Frontiers in Nonlinear Analysis for Materials, CMU, travel award ❖ 2015 Current Trends in Analysis and PDEs, IMPA, Brazil, travel award ❖ 2015 CIMPA Research School, Chile, travel award ❖ 2014 Visiting Researcher Thematic Program Award, The Fields Institute, Canada ❖ 2014 XV International Conference on Hyperbolic Problems, IMPA, Brazil, travel award ❖ 2013 to 2015 Capes Research Fellowship, Metallurgy and Materials Engineering, Brazil ❖ 2012 London Mathematical Society Invited Lectures, Univ. Glasgow, UK, travel award ❖ 2007 to 2009 University of São Paulo Undergraduate Research Fellowship, Brazil ❖ 2006 University of São Paulo, Brazil, Entrance Exam: top 1%, rank 1.432/170.474 ❖ 2003, 2004 Gold Medal, Mathematical Olympiad - Grand Lycée Pasteur, São Paulo, Brazil

TEACHING EXPERIENCE IN HIGHER EDUCATION 10/2015–09/2016 Inst. Mathematics, Univ. Wuerzburg: Differential Geometry, Ordinary Differential Equations

08/2011–12/2011 Inst. Brazilian Studies, Univ. São Paulo: Anthropology of Science and Technology: Mapping Controversies

08/2010–12/2011 School of Economics, Business & Accounting, Univ. São Paulo: Assets and Liabilities Management, Complementary Studies in Mathematics I, II

08/2009–12/2009 Inst. Mathematics & Statistics, Univ. São Paulo: Calculus IV w/ Complex Analysis for bachelor in Physics

LANGUAGES AND PROGRAMMING Portuguese (native); English (fluent); Spanish (intermediate); Italian, French (beginner). R/RStudio (good); Python, C/C++, Java; HTML/CSS, JavaScript (basic or academic experience); Linux OS.

CONNECTIONS BETWEEN PAST AND CURRENT RESEARCH TOPICS

Ad ditional keywords: Nonparametric Methods, Optimization, Decision making, Minimization, Geometric models, Dual problems

OTHER RECENT EVENTS, SCHOOLS AND WORKSHOPS ATTENDED

➢ VI Workshop of Mathematical Solutions to Industrial ➢ Winter School on Analysis and Applied Mathematics, Problems, CeMEAI/IMPA, 2021 University of Muenster, 2021 ➢ NCTS International Geometric Measure Theory ➢ Incontri di Analisi Matematica tra Firenze, Pisa e Siena, 2020 Seminar, Nov. 2020 - Sep. 2021 ➢ AMS Fall Eastern Virtual Sectional Meeting, 2020 ➢ Fields Medal Symposium: Alessio Figalli, 2020 ➢ Geometric Measure Theory and Geometric Analysis in ➢ Variational Methods in Nonlinear Phenomena, Moscow, 2020 University of Naples Federico II, 2020 ➢ Focused Research Group: New Challenges in Geometric ➢ Modern Trends in Differential Geometry - ICM, 2018 Measure Theory, 2020

Vitæ: Thaicia Stona de Almeida 4