Dr. Dzade's Selected Conference/Seminar Presentations (Oral)

• Keynote Lecture: (April 9, 2025) "Rational Design of Advanced Materials for Next-Generation Energy Conversion and Storage Devices" at the EI student-led symposium on Energy Innovations. Energy Institute (EI) - Inter-Institutional Program for Driving Research (IPDR) Symposium, University Park, Penn State.

• 
  

• Invited Speaker: (February 18-20, 2025), “Accelerating Advanced Energy Materials Design and Mineral Separation”. Third U.S.-Africa Frontiers of Science, Engineering, and Medicine Symposium, Kigali, Rwanda. 

• Invited Speaker: (January 23, 2025), “Making a Materials Difference to Green Energy Solutions via a Synergistic Computational‐Experimental Approach”. Invited “Semiconductor Talk Series” at the Department of Materials Engineering, Indian Institute of Science, Bangalore, India.

• Invited Speaker: (January 20-22, 2025), “Computational Modeling of Energy Band Alignment at Semiconductor Heterojunctions”. Invited pedagogical lecture at the Biennial School on Modelling and Simulation of Materials, at the Jawaharlal Nehru Centre for Advanced Scientific Research (JNCASR), Bangalore, India.

• Invited Speaker: (December 14-15, 2024), “Making a Materials Difference to Green Energy Solutions via Computer-Accelerated Design and Optimization”. 12th International Conference of the African Materials Research Society, Kigali, Rwanda.

• Invited Pre-Conference Workshop Organizer and Instructor: (December 14-15, 2024) “Introduction to Computational Materials Science”, 12th International Conference of the African Materials Research Society (AMRS2024), Kigali, Rwanda.

• Invited Speaker: (November 11-12, 2024). “Atomistic Modeling and Simulation of Energy Materials and Minerals Systems” Mintek@90 Conference, Sandton Convention Centre, Johannesburg, South Africa.  

• Invited Speaker: (October 31, 2024). "Atomistic Modeling and Simulation of Energy Materials and Minerals Systems," African University of Science and Technology Webinars, Abuja, Nigeria.

• Panel Member: (October 30, 2024). "Critical Minerals: Exploring AI Applications, Mechanisms of Occurrence, Health Implications, Sustainability and Socio-Political Considerations," 2024 Penn State Materials Day, University Park, PA, USA.

• Invited Speaker: (September 26, 2024). “Rational Design and Optimization of Advanced Energy Materials" at the IPDR Mini-Symposium on "Meeting the Renewable Energy Needs for a Sustainable Future" at Morgan State University, Maryland.

• Invited Speaker: (September 20, 2024). “Accelerating Advanced Energy Materials Design and Discovery”. Obelisk Society Dinner, Awards, & Research Showcase, Graduate Hotel, State College.

• Workshop Panel Member: (September 15, 2024). "Preparing a Strong Graduate School Application," Study Abroad Fair, Graduate Students Association of Ghana in the United States of America (GRASAG-USA).

• Invited Speaker: “Making a Materials Difference to Green Energy Solutions via Computer-Accelerated Design and Optimization” Sustainable, Clean & Emerging Energy Technologies Conference (SCEETC 2024), University of Nigeria, Nsukka, 21 – 26 July 2024.

• Invited Speaker: “Computer-Aided Understanding of Interfacial Phenomena in Thin Film Solar Cells” 2024 Spring Meeting of the European Materials Research Society (E-MRS), Convention & Exhibition Centre of Strasbourg (France), May 27 to 31, 2024.

• Invited Lecture: “Computer-Accelerated Discovery, Design, and Optimization of Energy Conversion and Storage Materials " Penn State Inter-Institutional Partnerships for Diversifying Research (IPDR) Mini-Symposium on "Meeting the Renewable Energy Needs for a Sustainable Future" at Howard University on March 14, 2024.

• Invited Speaker: “Strengthening Africa’s Materials and Minerals Research and Training Capacity: Implications for Renewable Energy Generation and Storage”. Minerals to Materials Symposium at University College London (UCL), UK, June 26th -27th, 2023.

• Keynote Speaker: “Green hydrogen: A Viable Option for Transforming Africa’s Energy Sector and Green Industrialization”, Chem4Energy Annual Conference 2023 on  Materials and Processes for a Sustainable Energy Future. North-West University Sports Village in Potchefstroom, South Africa. 30 March – 2 April 2023.

• Keynote Speaker: “Making a Materials Difference to Green Hydrogen Production: Fuel of the Future”. 1st International Conference on Green Hydrogen for Global Decarbonization (ICGHGD-2023), Pandit Deendayal Energy University, Gandhinagar, Gujarat, India. March 17-18, 2023.

• Keynote Speaker: “Interface Engineering of Earth-abundant Materials for Renewable Energy Conversion” Global Scientific Guild Conference: 6th Global Webinar on Materials Science and Engineering. March 09-10, 2023.

• Invited Lecture: “Computationally Driven Design of Earth-abundant Materials for Renewable Energy Conversion and Storage”. The 11th International Conference of the African Materials Research Society (AMRS2022); 12-15 December 2022, Université Cheikh Anta Diop, Dakar, Senegal.

• Invited Lecture: "The interface is still the device: engineering it for enhanced thin film solar cell performance." Fall 2022 Earth and Environmental Systems Institute (EESI) EarthTalks series on Exploring the Multiple Dimensions of Solar Energy;  31 October 2022, @ Penn State.

• Invited Lecture: “Accelerating Advanced Energy Materials Design and Discovery via High-Performance Computing”, Energy and Mineral Engineering Department Seminar. September 15, 2022 @ Penn State.

• Conference Chair: 2nd International Conference on Materials & Manufacturing, jointly organized by Engineered Science Publisher, USA in association with MVP'S ASC College, Ozar, Nashik, India.  26-28th February 2022.

• Invited Lecture: "Computer-Accelerated Design of Next-Generation Materials for Solar Energy Conversion", Webinar: American Solar Energy Society, Penn State Chapter. 7th October 2021.  

• Keynote Speaker: "Computer-Accelerated Rational Design of Earth-abundant Materials for Renewable Energy Conversion". Engineered Science Publisher Symposium on “Energy Conversion and Storage Devices”, 20th March, 2021.

• Invited Speaker: "Interface Engineering for Efficient Solar Energy Conversion". HEC Materials Chemistry Consortium Webinar, 28th July, 2020.

• Keynote Speaker: "Rational Design of Transition Metal Chalcogenide based Functional Materials for Renewable Energy Conversion". International Chemistry Conference in Botswana, September 25–27, 2019, Gaborone, Botswana.

• Contributed: "High Photoresponse of Marcasite–Pyrite Heterojunction and Its Origin: Insights from First-Principles DFT Calculation". European Materials Research Society (E-MRS) 2019 Fall Meeting, September 16 - 19, 2019. Warsaw University of Technology, Poland.

• Invited Speaker:  "Band-gap and band-offset engineering of semiconductor heterostructures for photovoltaic and photocatalytic applications". 2nd Edition of Global Conference on Catalysis, Chemical Engineering & Technology (CAT 2018), September 13-15, 2018 in Rome, Italy.

• Invited Speaker: "Computer simulations of iron sulphide materials for photocatalytic applications". UK-Netherlands Bilateral International Meeting, Organised by the Royal Society and Royal Netherlands Academy of Arts and Sciences, 21-22 February 2018, Chicheley Hall, Milton Keynes.

• Invited: "CO2 activation and conversion catalysed by layered FeS nanocatalyst: A DFT study". ‘Global Conference on Catalysis and Reaction Engineering’ October 19−21, 2017, Las Vegas, USA.

• Contributed:  "Characterization of the structures and properties of As(OH)3 adsorption complexes at mackinawite water interfaces: A DFT-D2 study” Goldschmidt2017, August 13−18, 2017, Paris.

• Invited Speaker: "Modelling band alignments and charge transfer in semiconductor heterostructures for photovoltaic and photocatalytic applications". Royal Society-DFID Africa Capacity Building Initiative semi-annual meeting/workshop, August 1−5, 2017, University of Namibia, Windhoek, Namibia.

• Invited Speaker: "Active sulfur vacancy sites for the activation and conversion of carbon dioxide on FeS(001) surface". Computational Sciences for Future Energy conference, September 19−20, 2017, Eindhoven, The Netherlands.

• Contributed: "Surface and shape modification of FeS nanocrystals by cysteine adsorption for heterogeneous catalytic applications". Catalysis for Fuels Faraday Discussion, January 24−26, 2017, Cape Town, South Africa.

• Contributed: "Nanostructuring of pyrite and marcasite FeS2 surfaces/interfaces for photovoltaic applications". Computational Sciences for Future Energy 2016 conference, October 11, 2016, Media Plaza, Utrecht.

• Contributed: "Mechanisms of thiophene adsorption and desulfurization of on layered FeS low-index Miller surfaces". Geochemistry Seminar, September 14, 2016, Utrecht University, The Netherlands.

• Invited: "Mixed pyrite-marcasite thin films for efficient solar energy conversion". Royal Society-DFID Africa Capacity Building Initiative semi-annual meeting, August 1−5, 2016, Kwame Nkrumah University of Science and Technology (KNUST), Kumasi, Ghana.

• Contributed: "Enhanced photo-response of FeS2 films: the role of marcasite-pyrite phase junctions". Modelling of Advanced Functional Materials using Terascale Computing, Materials Chemistry Consortium Conference, April 6−8, 2016, Cardiff University, Wales, UK.

• Invited: "Bio-inspired layered iron sulfide nano-catalyst for CO2 conversion". International conference on the Science behind CO2 Capture and Conversion, June 24−28, 2015, Varadero, Cuba.

• Keynote Speaker: "Cysteine adsorption on the low-Miller index surfaces of FeS: implications for nanocrystals shape modulation". The Centre for High-Performance Computing (CHPC) National Conference, December 2–6 2013. Cape Town, South Africa.

• Contributed: "Computer-aided design of active and selective iron sulfide nano-catalyst for CO2 activation and conversion". The 12th International Conference on Carbon Dioxide Utilization (ICCDU XII), June, 23–27, 2013, Alexandria, Washington D.C., USA.

• Contributed: "The surface chemistry of NOx at mackinawite (FeS) surfaces". The Centre for High-Performance Computing (CHPC) National Conference, December 2–6, 2012, Durban International Convention Centre, Durban, South Africa.

• Contributed: "First-principles study of the structure and properties of silicene: A competitive 2D material". Materials and Inorganic Chemistry Seminar, Nov. 13, 2012, University College London, UK.

• Contributed: "The reactivity of CO2 with the low-index surfaces of FeS”. London Catalysis Winter Seminar, 19th Jan. 2012, Imperial College London, UK.

• Contributed: "A DFT-D2 study of structure and properties of As(OH)3 adsorption complexes on mackinawite (FeS)”. The Centre for High-Performance Computing National Conference, December 7–9, 2011, Council of Scientific and Industrial Research, (CSIR), International Convention Centre, Pretoria, South Africa.

• Contributed: "Bio-inspired (Fe, Ni)S nano-catalyst for CO2 activation and reduction". The World Association of Theoretical and Computational Chemists (WATOC 2011) Congress, July 17−22, 2011, at Santiago de Compostela, Spain.

• Contributed: "Silicene and transition metal-based materials: prediction of a two-dimensional piezomagnet". School and Conference on "Emergent Properties and Novel Behaviour at the Nanoscale", Jawaharlal Nehru Centre for Advanced Scientific Research, April 19–24, 2010, Bangalore, India.