Prediction of Water-Level in the Urmia Lake Using the Extreme Learning Machine Approach von Shiri, Jalal, Shamshirband, Shahaboddin, Kisi, Ozgur, Karimi, Sepideh, Bateni, Seyyed M, Hosseini Nezhad, Seyed Hossein, Hashemi, Arsalan

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Kinetics of N2 Release from Diazo Compounds: A Combined Machine Learning-Density Functional Theory Study von Farshadfar, Kaveh, Hashemi, Arsalan, Khakpour, Reza, Laasonen, Kari

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Simulating Raman spectra by combining first-principles and empirical potential approaches with application to defective MoS2 von Kou, Zhennan, Hashemi, Arsalan, Puska, Martti J., Krasheninnikov, Arkady V., Komsa, Hannu-Pekka

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Understanding Electron Transfer Reactions Using Constrained Density Functional Theory: Complications Due to Surface Interactions von Hashemi, Arsalan, Peljo, Pekka, Laasonen, Kari

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Vibrational Properties of Metal Phosphorus Trichalcogenides from First-Principles Calculations von Hashemi, Arsalan, Komsa, Hannu-Pekka, Puska, Martti, Krasheninnikov, Arkady V

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Kinetics of N 2 Release from Diazo Compounds: A Combined Machine Learning-Density Functional Theory Study von Farshadfar, Kaveh, Hashemi, Arsalan, Khakpour, Reza, Laasonen, Kari

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Chlorine doping of MoSe2 flakes by ion implantation von Prucnal, Slawomir, Hashemi, Arsalan, Ghorbani-Asl, Mahdi, Hübner, René, Duan, Juanmei, Wei, Yidan, Sharma, Divanshu, Zahn, Dietrich R T, Ziegenrücker, René, Kentsch, Ulrich, Krasheninnikov, Arkady V, Helm, Manfred, Zhou, Shengqiang

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Exploration of Vitamin B 6 -Based Redox-Active Pyridinium Salts Towards the Application in Aqueous Organic Flow Batteries von Nechaev, Anton A, Gonzalez, Gabriel, Verma, Prachi, Peshkov, Vsevolod A, Bannykh, Anton, Hashemi, Arsalan, Hannonen, Jenna, Hamza, Andrea, Pápai, Imre, Laasonen, Kari, Peljo, Pekka, Pihko, Petri M

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Exploration of Vitamin B6‐Based Redox‐Active Pyridinium Salts Towards the Application in Aqueous Organic Flow Batteries von Nechaev, Anton A., Gonzalez, Gabriel, Verma, Prachi, Peshkov, Vsevolod A., Bannykh, Anton, Hashemi, Arsalan, Hannonen, Jenna, Hamza, Andrea, Pápai, Imre, Laasonen, Kari, Peljo, Pekka, Pihko, Petri M.

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Hydrogen-assisted post-growth substitution of tellurium into molybdenum disulfide monolayers with tunable compositions von Yin, Guoli, Zhu, Dancheng, Lv, Danhui, Hashemi, Arsalan, Fei, Zhen, Lin, Fang, Krasheninnikov, Arkady V, Zhang, Ze, Komsa, Hannu-Pekka, Jin, Chuanhong

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Density functional theory and machine learning for electrochemical square-scheme prediction: an application to quinone-type molecules relevant to redox flow batteries von Hashemi, Arsalan, Khakpour, Reza, Mahdian, Amir, Busch, Michael, Peljo, Pekka, Laasonen, Kari

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Thermal transport in MoS2 from molecular dynamics using different empirical potentials von Xu, Ke, Gabourie, Alexander J, Hashemi, Arsalan, Fan, Zheyong, Wei, Ning, Farimani, Amir Barati, Komsa, Hannu-Pekka, Krasheninnikov, Arkady V, Pop, Eric, Ala-Nissila, Tapio

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Efficient Calculation of the Lattice Thermal Conductivity by Atomistic Simulations with Ab Initio Accuracy von Brorsson, Joakim, Hashemi, Arsalan, Fan, Zheyong, Fransson, Erik, Eriksson, Fredrik, Ala‐Nissila, Tapio, Krasheninnikov, Arkady V., Komsa, Hannu‐Pekka, Erhart, Paul

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Efficient method for calculating Raman spectra of solids with impurities and alloys and its application to two-dimensional transition metal dichalcogenides von Hashemi, Arsalan, Krasheninnikov, Arkady V., Puska, Martti, Komsa, Hannu-Pekka

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Chlorine doping of MoSe 2 flakes by ion implantation von Prucnal, Slawomir, Hashemi, Arsalan, Ghorbani-Asl, Mahdi, Hübner, René, Duan, Juanmei, Wei, Yidan, Sharma, Divanshu, Zahn, Dietrich R T, Ziegenrücker, René, Kentsch, Ulrich, Krasheninnikov, Arkady V, Helm, Manfred, Zhou, Shengqiang

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Chlorine doping of MoSe flakes by ion implantation von Prucnal, Slawomir, Hashemi, Arsalan, Ghorbani-Asl, Mahdi, Hübner, René, Duan, Juanmei, Wei, Yidan, Sharma, Divanshu, Zahn, Dietrich R. T, Ziegenrücker, René, Kentsch, Ulrich, Krasheninnikov, Arkady V, Helm, Manfred, Zhou, Shengqiang

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Photoluminescence line shapes for color centers in silicon carbide from density functional theory calculations von Hashemi, Arsalan, Linderälv, Christopher, Krasheninnikov, Arkady V., Ala-Nissila, Tapio, Erhart, Paul, Komsa, Hannu-Pekka

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Understanding Electrochemical Reversibility using Density Functional Theory: Bridging Theoretical Scheme of Squares and Experimental Cyclic Voltammetry von Hashemi, Arsalan

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Low-energy Se ion implantation in MoS2 monolayers von Bui, Minh N., Rost, Stefan, Auge, Manuel, Tu, Jhih-Sian, Zhou, Lanqing, Aguilera, Irene, Blügel, Stefan, Ghorbani-Asl, Mahdi, Krasheninnikov, Arkady V., Hashemi, Arsalan, Komsa, Hannu-Pekka, Jin, Lei, Kibkalo, Lidia, O’Connell, Eoghan N., Ramasse, Quentin M., Bangert, Ursel, Hofsäss, Hans C., Grützmacher, Detlev, Kardynal, Beata E.

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Phonons and excitons in ZrSe2–ZrS2 alloys von Oliver, Sean M, Fox, Joshua J, Hashemi, Arsalan, Singh, Akshay, Cavalero, Randal L, Yee, Sam, Snyder, David W, Jaramillo, R, Hannu-Pekka Komsa, Vora, Patrick M

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