Artem Pulkin

[ɐrˈtsʲɵm]

Researcher, data scientist, software engineer

📧 gpulkin@gmail.com 🌐 pulk.in 🏠 Amsterdam NL 🇳🇱

🔍 jobs: researcher, ML scientist, research engineer, data scientist, software engineer

Currently

Developing innovative machine learning approaches to engineer electronic materials and molecules addressing modern society challenges

Expertise

Computational physics, quantum chemistry, numerical materials science, machine learning, many-body physics, research code development.

Education 🎓

2012-2017 Docteur ès Sciences EPFL in physics Lausanne CH 🇨🇭 Specialized on: numerical electronic structure, quantum simulations. Thesis: Electronic Transport in 2D Materials with Strong Spin-orbit Coupling (03/2017); supervisor: Oleg Yazyev

2010-2012 Master of Science Chalmers in applied physics Göteborg SE 🇸🇪 Thesis: Spintromechanical Aspects of Charge Transport in Nanostructures (06/2012); supervisor: Robert Shekhter

2006-2010 B.Sc. in Physics cum laude V.N. Karazin’s State University Kharkiv UA 🇺🇦

Training

Coursera: Machine Learning from Stanford University

Research 🔬

Apr'19-Apr'22 Postdoc @ QuTech Delft university of technology NL 🇳🇱

I developed novel approaches based on machine learning to predict molecular dynamics and electronic structure properties of amorphous topological insulator materials. I supervised a multi-disciplinary team of condensed matter and quantum nanoscience researchers working on real-world applications of these materials.

Jul'17-Mar'19 Postdoc @ Caltech US 🇺🇸

I successfully carried out an ambitious postdoctoral project funded by a personal Swiss NSF grant P2ELP2_175281 in collaboration with prof. Garnet Chan group from Caltech. I developed and implemented first of its kind computational many-body quantum chemistry framework to model two-dimensional crystalline materials. I demonstrated the power of the approach by computing low-energy spectral properties of two-dimensional molybdenum disulphide.

Oct'12-Apr'17 Doctoral assistant @ EPFL CH 🇨🇭

I discovered a new class of electronic band structure effects in two-dimensional transition metal dichalcogenides originating from the interplay of spin-orbit interactions and crystalline lattice symmetries. In collaboration with world-leading experimental groups, I was able to demonstrate these effects in real materials resulting in several high-impact publications.

Jun'12-Aug'12 Research assistant @ Seoul National University, KR 🇰🇷

I studied electronic structure of edge states in models of overlapping topological graphene nanoribbons.

Aug'10-Jun'12 Research assistant @ Chalmers, SE 🇸🇪

I designed a concept of a nanoscale spin-mechanical single-electron transistor (SET).

Skills

Theory: quantum condensed matter; first-principles approaches: Hartree-Fock, density functional theory (DFT), quantum chemistry (diagrammatic approaches); classical thermodynamics; machine learning.

Numerics and simulations: second quantization, tight-binding, neural and tensor networks, classical force fields, large-scale simulations, high-performance computing.

Codes, languages, packages: python (numpy, keras, pytorch, matplotlib, cython, core development: cPython, uPython), C, Java, Matlab, bash; Quantum Espresso, OpenMX, pyscf.

Soft: Critical analysis, problem solving, communicating (organizing discussions, presenting, paper/grant/documentation writing), full-cycle project management (idea - funding - implementation - reporting), supervision.

Languages

English (proficient), Russian (mother), French (basic), Dutch (basic).

Publications

in preparation 📄 Artem Pulkin, Daniel Varjas

Topological electronic properties of amorphous Bi2Se3

📄 Artem Pulkin

A neural-network classical potential for simulating disorder in amorphous Bi2Se3

2021 📄 Artem Pulkin, Niket Agrawal, André Melo

miniff – A minimal implementation of classical and neural-network force fields in python

Zenodo doi:10.5281/zenodo.4626641 (2021) 🔗 link code

2020 📄 Artem Pulkin, Oleg Yazyev

Controlling the Quantum Spin Hall Edge States in Two-Dimensional Transition Metal Dichalcogenides

J. Phys. Chem. 11, issue 17 p. 6964 (2020) 🔗 arXiv ACS

📄 PySCF team

Recent developments in the PySCF program package

J. Chem. Phys. 153, 024109 (2020) 🔗 arXiv

📄 Artem Pulkin, Garnet Kin-Lic Chan

First principles coupled cluster theory of the electronic spectrum of the transition metal dichalcogenides

Phys. Rev. B 101 241113(R) (2020) 🔗 arXiv

2019 📄 Zahra Pedramrazi, Charlotte Herbig, Artem Pulkin, Shujie Tang, Madeleine Phillips, Dillon Wong, Hyejin Ryu, Michele Pizzochero, Yi Chen, Feng Wang, Eugene J Mele, Zhi-Xun Shen, Sung-Kwan Mo, Oleg V Yazyev, Michael F Crommie

Manipulating Topological Domain Boundaries in the Single-Layer Quantum Spin Hall Insulator 1T′–WSe2

Nano lett. 19 (8) 5634-5639 (2019) 🔗 ACS

📄 Sara Barja, Sivan Refaely-Abramson, Bruno Schuler, Diana Y. Qiu, Artem Pulkin, Sebastian Wickenburg, Hyejin Ryu, Miguel M. Ugeda, Christoph Kastl, Christopher Chen, Choongyu Hwang, Adam Schwartzberg, Shaul Aloni, Sung-Kwan Mo, D. Frank Ogletree, Michael F. Crommie, Steven G. Louie, Jeffrey B. Neaton, Oleg V Yazyev, and Alexander Weber-Bargioni

Identifying substitutional oxygen as a prolific point defect in monolayer transition metal dichalcogenides

Nat. comm. 10 (1), 3382 (2019) 🔗 arXiv

2018 📄 Miguel M. Ugeda, Artem Pulkin, Shujie Tang, Hyejin Ryu, Quansheng Wu, Yi Zhang, Dillon Wong, Zahra Pedramrazi, Ana Martín-Recio, Yi Chen, Feng Wang, Zhi-Xun Shen, Sung-Kwan Mo, Oleg V. Yazyev and Michael F. Crommie

Observation of Topologically Protected States at Crystalline Phase Boundaries in Single-layer WSe2

Nat. Commun. 9 3401 (2018) 🔗 arXiv

earlier 📄 Artem Pulkin, and Oleg V. Yazyev

Robustness of the quantum spin Hall insulator phase in monolayer 1T’ transition metal dichalcogenides

J. Electron Spectrosc. Relat. Phenom. 219 72-76 (2017) 🔗 ScienceDirect

📄 Artem Pulkin, and Oleg V. Yazyev

Spin- and valley-polarized transport across line defects in monolayer MoS2

Phys. Rev. B 93 041419 (2016) 🔗 arXiv

📄 Ossi Lehtinen, Hannu-Pekka Komsa, Artem Pulkin, Michael Brian Whitwick, Ming-Wei Chen, Tibor Lehnert, Michael J. Mohn, Oleg V. Yazyev, Andras Kis, Ute Kaiser, and Arkady V. Krasheninnikov

Atomic scale microstructure and properties of Se-deficient two-dimensional MoSe2

ACS Nano 9 (3) 3274–3283 (2015) 🔗 ACS

📄 T. Eelbo, M. Waśniowska, M. Sikora, M. Dobrzański, A. Kozłowski, A. Pulkin, G. Autès, I. Miotkowski, O. V. Yazyev, and R. Wiesendanger

Strong out-of-plane magnetic anisotropy of Fe adatoms on Bi2Te3

Phys. Rev. B 89 104424 (2014) 🔗 arXiv

📄 Robert I. Shekhter, Artem Pulkin, Mats Jonson

Spintronic mechanics of a magnetic nanoshuttle

Phys. Rev. B 86, 100404(R) (2012) 🔗 APS

📄 Anatoli M. Kadigrobov, Robert I. Shekhter, Igor Aronov, Sergeij I. Kulinich, Artem Pulkin, Mats Jonson

Microwave-induced spin-flip scattering of electrons in point contacts

Low Temperature Physics/Fizika Nizkikh Temperatur, 37 (11) 925 🔗 AIP

*links online

Presentations

2021 📢 Electronic properties of amorphous topological insulator from first principles Real-space Simulations of Topological Matter and Disordered Materials (IOP) UK 🇬🇧

📢 Neural network approach to the amorphous topological insulator Bi2Se3 Physics@Veldhoven 2021 NL 🇳🇱

2020 📢 Coupled-cluster study of two-dimensional transition metal dichalcogenides, Physics@Veldhoven 2020 NL 🇳🇱

📢 Electronic and spin transport properties of two-dimensional transition metal dichalcogenides, WE-Heraeus-Seminar / Spin Transport in Complex Magnetic Structures, Bad Honnef DE 🇩🇪

2019 📢 First-principles coupled-cluster study of two-dimensional materials, Thomas Young Center Lunchtime Seminar Series, Imperial College, London UK 🇬🇧

📢 Micropython on GSM microcontroller, Python meetup Rotterdam 2019, Rotterdam NL 🇳🇱

📢 First-principles diagrammatic methods, Entanglement in Strongly Correlated Systems school, Benasque ES 🇪🇸

📢 First-principles diagrammatic simulations of two-dimensional crystals, Uni Leiden NL 🇳🇱

📢 First-principles diagrammatic simulations of solids, Uni Amsterdam NL 🇳🇱

📢 Electronic Properties of Materials Using Coupled-cluster Approach, Vrije Universiteit Amsterdam NL 🇳🇱

📢 Electronic Transport and Topological Properties of 2D Transition Metal Dichalcogenides, Uni Delft NL 🇳🇱

2018 📢 The density matrix embedding theory, Technical University of Denmark 🇩🇰

earlier 📢 2D Materials with Strong Spin-orbit Coupling: Topological and Electronic Transport Properties, Novel Quantum States in Condensed Matter conference, Kyoto JP 🇯🇵

📢 Electronic structure of line defects in 2D transition metal dichalcogenides: a transport perspective, SPS Annual Meeting, Lugano CH 🇨🇭

📢 Spin- and Valley-Polarized Transport across Line Defects in Monolayer MoS2, APS March Meeting, Baltimore US 🇺🇸

Hobbies

Sports, ✈ travels, cross-stitching, soldering, 🔒 lock picking, 🕹️ board and video games, open-source projects.