# Artem Pulkin

[ΙrΛtsΚ²Ι΅m]

Researcher, data scientist, software engineer

π§ gpulkin@gmail.com π pulk.in π Amsterdam NL π³π±

π 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 π

`2012-2017`

**Docteur Γ¨s Sciences EPFL** in physics Lausanne CH π¨π
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 GΓΆteborg SE πΈπͺ
Thesis: Spintromechanical Aspects of Charge Transport in Nanostructures (06/2012);
supervisor: Robert Shekhter

`2006-2010`

**B.Sc. in Physics** *cum laude* V.N. Karazinβs State University Kharkiv UA πΊπ¦

### Training

Coursera: Machine Learning from Stanford University

## Research π¬

`Apr'19-Apr'22`

**Postdoc @ QuTech Delft university of technology NL** π³π±

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** πΊπΈ

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** π¨π

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** π°π·

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

`Aug'10-Jun'12`

**Research assistant @ Chalmers, SE** πΈπͺ

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`

π **Artem Pulkin**, Daniel Varjas

Topological electronic properties of amorphous Bi2Se3

π **Artem Pulkin**

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

`2021`

π **Artem Pulkin**, Niket Agrawal, AndrΓ© Melo

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

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

`2020`

π **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) π arXiv ACS

π PySCF team

Recent developments in the PySCF program package

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

π **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) π arXiv

`2019`

π 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 1Tβ²βWSe2

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

π 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) π arXiv

`2018`

π Miguel M. Ugeda, **Artem Pulkin**, Shujie Tang, Hyejin Ryu, Quansheng Wu, Yi Zhang, Dillon
Wong, Zahra Pedramrazi, Ana MartΓn-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) π arXiv

`earlier`

π **Artem Pulkin**, and Oleg V. Yazyev

Robustness of the quantum spin Hall insulator phase in monolayer 1Tβ transition metal dichalcogenides

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

π **Artem Pulkin**, and Oleg V. Yazyev

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

Phys. Rev. B 93 041419 (2016) π arXiv

π 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) 3274β3283 (2015) π ACS

π T. Eelbo, M. WaΕniowska, M. Sikora, M. DobrzaΕski, A. KozΕowski, **A. Pulkin**, G. AutΓ¨s, 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) π arXiv

π Robert I. Shekhter, **Artem Pulkin**, Mats Jonson

Spintronic mechanics of a magnetic nanoshuttle

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

π 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 π AIP

**links online*

## Presentations

`2021`

π’ Electronic properties of amorphous topological insulator from first principles
Real-space Simulations of Topological Matter and Disordered Materials (IOP) **UK** π¬π§

π’ Neural network approach to the amorphous topological insulator Bi2Se3
Physics@Veldhoven 2021 **NL** π³π±

`2020`

π’ Coupled-cluster study of two-dimensional transition metal dichalcogenides,
Physics@Veldhoven 2020 **NL** π³π±

π’ Electronic and spin transport properties of two-dimensional transition metal dichalcogenides,
WE-Heraeus-Seminar / Spin Transport in Complex Magnetic Structures, Bad Honnef **DE** π©πͺ

`2019`

π’ First-principles coupled-cluster study of two-dimensional materials,
Thomas Young Center Lunchtime Seminar Series, Imperial College, London **UK** π¬π§

π’ Micropython on GSM microcontroller,
Python meetup Rotterdam 2019, Rotterdam **NL** π³π±

π’ First-principles diagrammatic methods,
Entanglement in Strongly Correlated Systems school, Benasque **ES** πͺπΈ

π’ First-principles diagrammatic simulations of two-dimensional crystals,
Uni Leiden **NL** π³π±

π’ First-principles diagrammatic simulations of solids,
Uni Amsterdam **NL** π³π±

π’ Electronic Properties of Materials Using Coupled-cluster Approach,
Vrije Universiteit Amsterdam **NL** π³π±

π’ Electronic Transport and Topological Properties of 2D Transition Metal Dichalcogenides,
Uni Delft **NL** π³π±

`2018`

π’ The density matrix embedding theory,
Technical University of **Denmark** π©π°

`earlier`

π’ 2D Materials with Strong Spin-orbit Coupling: Topological and Electronic Transport Properties,
Novel Quantum States in Condensed Matter conference, Kyoto **JP** π―π΅

π’ Electronic structure of line defects in 2D transition metal dichalcogenides: a transport perspective,
SPS Annual Meeting, Lugano **CH** π¨π

π’ Spin- and Valley-Polarized Transport across Line Defects in Monolayer MoS2,
APS March Meeting, Baltimore **US** πΊπΈ

## Hobbies

Sports, β travels, cross-stitching, soldering, π lock picking, πΉοΈ board and video games, open-source projects.