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DR WINFRED MUENI MULWA

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Staff Information
PERSONAL DETAILS
Designation
LECTURER
Corporate Email
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Personal Email
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Job Category
Teaching
Phone Number
+254797951382
Division / Faculty
Faculty of Science
Directorate / Dept
DEPT. OF PHYSICS
Section
Computational Physics
Office Extension No.
0066
Address
P.O Box 536 Egerton
SUMMARY

Dr. Winfred Mueni Mulwa is a Doctor of combined computational and experimental Physics, Department of Physics, Faculty of Science, Egerton University. She is a post-doctoral fellow at the University of Texas at El Paso (UTEP) – 2024 to 2025. She is a 2024_Schlumberger Foundation Faculty for the Future Award Recipient. Dr. Mulwa is employed as a visiting scholar in the department of mechanical science and engineering, University of Illinois Urbana-Champaign USA. She is the head of High-Performance Computing, Department of Physics - Egerton University. She is a Principal Investigator, Centre for High Performance Computing (CHPC) – South Africa from 2018 to date. She is the Intellectual Property Officer (IPO) at Egerton University. She holds a Doctor of Philosophy (PhD) degree in Physics, specializing in combined Computational and Experimental Physics within Material Science. The PhD degree was obtained from University of the Free State South Africa. She received her Master’s degree in Computational Physics from University of Eldoret, Kenya / ICTP-ITALY. She has a long-standing experience working with Density Functional Theory an ab initio technique within Quantum ESPRESSO. She is trained in High Performance Computing (HPC). The HPC training was done at the International Centre for Theoretical Physics (ICTP), Italy. She continues to conduct research in Fe2P-type materials for near room temperature refrigeration. She is also researching on High-throughput computational design and discovery of novel thermoelectric materials. She also researches on inorganic double and single perovskites for energy harvesting. In her Computational Physics laboratory, she has been able to install twenty high performance computers being used by her PhD and Masters students for research. She has successfully supervised several undergraduate and postgraduate students and works in collaboration with researchers locally and internationally.

ORCID
https://orcid.org/0000-0002-3285-7979
Google Scholar
https://scholar.google.com/citations?user=qcBUxhgAAAAJ&hl=en
ACADEMIC QUALIFICATIONS
  •  Doctorate degree: Doctor of Philosophy in Physics (Experimental and Computational Solid State Physics) University of the Free State-South Africa. Thesis Title: A combined ab initio and experimental study of lanthanides and/or transition metal doped oxides.
  •  Master degree: Master of Science in Physics (Computational Material Science) University of Eldoret-Kenya / ICTP- ITALY: Thesis         Title: Structural and electronic studies of TiO2, Cr:TiO2 and Nb:TiO2 using DFT+U.
FIELDS OF SPECIALIZATION

COMPUTATIONAL PHYSICS

I am a specialist in MACHINE LEARNING, QUANTUM ESPRESSO and VASP codes, used in computing properties of materials.

Computer Skills

  • Pymatgen and Matminer
  • Quantum Mechanical Codes: Quantum ESPRESSO, VASP.                  
  • Classical Codes: LAMMPS.              
  • Operating Systems: Linux, Windows.                          
  • Languages: Fortran (F90), LATEX.                    
  • Software Tools: GNU-plot, Xmgrace, Xcrysden, VMD, Vesta, MedeA
PROFESSIONAL QUALIFICATIONS
  1. Lecturer - Egerton University, Department of Physics (September 2018-to-Date)

  2. Visiting Scholar: In the department of mechanical science and engineering, University of Illinois Urbana-Champaign USA. (June 8,                               2022 to June 2032)

  3. Reviewer:  Journal of Physica B: Physics of Condensed Matter (July 2019- to-Date)                                                                                                         Indian Journal of Physics (May 2021 -to- date)
  4. Lecturer: 6th African School on 'Electronic Structure Methods and Applications' (ASESMA) 31st May 2021 to 11th June 2021 (online)
  5. Lecturer:  5th African School on 'Electronic Structure Methods and Applications' (ASESMA) 22 Oct 2018 to 2 Nov 2018 at Addis Ababa Science and Technology University (AASTU).
  6. Principal Investigator (PI) -  Centre for High Performance Computing (CHPC)  Cape Town South Africa (November 30, 2018)

Responsibilities

  • Intellectual Property Officer of the University
  • Member of Intellectual Property Management and Publication Committee
  • Member of Departmental Curriculum Review Committee
  • Member of Internal Examinations Moderation Committee

 

WORK EXPERIENCE
  1. Lecturer of Physics: In the department of Physics, Egerton University - Kenya from September 2018 to date.
  2. Visiting Scholar: In the department of mechanical science and engineering, University of Illinois Urbana-Champaign USA. From June 8, 2022 to June 2032
  3. Doctorate researcher as well as laboratory demonstration and tutorials: In the department of Physics, University of the Free State-South from July 2014 to May 2017.
  4. Masters level researcher as well as laboratory demonstration and tutorials: University of Eldoret - Kenya and International Centre for Theoretical Physics (ICTP) - ITALY from March 2010 to 3rd Dec. 2013.
  5. Head of Physics department: Hill School (high school) - Kenya from 2007-2009.
KEY PROJECTS

  1. Schlumberger Foundation Faculty for the Future (FFTF) Post doctorate grant: Amount USD: 40,000.00 in support of The Role of Self-Interaction Corrections and Non-collinear Magnetism in Molecular Magnetic Qubits (March 29, 2024)

  2. Thermoelectric properties of 18-valence-electron Heusler Alloys : First principle approach. Funded by ASESMANET (Atomistic Simulations, Electronic Structure, Computational Material Science and Applications: The African Network): AMOUNT USD: 2,000.00 per visit - On Going
  3. High-throughput computational design and discovery of novel thermoelectric materials. Funded by University of Illinois at Urbana – Champaign- USA: AMOUNT USD. 4,449.00 per visit - On Going 
  4. Density Functional Theory investigation of possible Fe2 P-type materials for near-room temperature refrigeration: Funded by: Organization for Women in Science for the Developing World (OWSD): AMOUNT = USD 49,900.00 - On Going
  5. Density Functional Theory investigation of possible materials for magnetic refrigeration by use of magnetocaloric effect: Funded by: KENYA EDUCATION NETWORK (KENET): AMOUNT = USD 15,000.00 - On Going

  6. Japan Advanced Institute of Science and Technology (JAIST): Amount USD 30,200.00 Award of high-performance computing equipment (February 4, 2019)

RESEARCH INTERESTS
  • Magnetic refrigeration
  • Inorganic Perovskites solar cells
  • Thermoelectric properties of half and full Heusler alloys
LIST OF PUBLICATIONS

 

  1. Edward Tindibale, Winfred M. Mulwa, Bamidele I. Adetunji. Elastic anisotropy, mechanical, lattice dynamics, and electronic properties of MPdZ (M = Hf, Zr, Ti; Z = Sn, Ge, Si). DFT study. Computational Condensed Matter  39 (2024) e00904 DOI:10.1016/j.cocom.2024.e00904
  2. Lynet Allan, Winfred M. Mulwa, Julius M. Mwabora, Robinson J. Musembi, R.E. Mapasha. First-principles calculations to investigate the elastic, electronic, dynamical, and optical properties of cubic ZrCoAs half-Heusler semiconductor for photovoltaic applications. Journal of Results in Materials 3 (2024) 32 https://doi.org/10.1016/j.rinma.2024.100558
  3. Lynet Allan, Winfred M. Mulwa, Julius M. Mwabora, Robinson J. Musembi, R.E. Mapasha, First principle study of ATiO3 (A=Ti,Sr) materials for photovoltaic applications. Journal of Molecular Modeling 30 (2024)32 https://doi.org/10.1007/s00894-023-05823-x

  4. Lynet Allan, Winfred M. Mulwa, Julius M. Mwabora, Robinson J. Musembi, R.E. Mapasha, Ab-initio Study of the Structural, Mechanical and Dynamical Properties of Half- Heusler ZrCoY (Y=Sb, Bi) in GW Approximation. European Journal of Science, Innovation and Technology 3 (2023) ISSN: 2786-4936.

  5. Lynet Allan, Winfred M. Mulwa, Julius M. Mwabora, Robinson J. Musembi, R.E. Mapasha, An ab-initio study of P-type ZrCoY (Y–Sb and Bi) half –Heusler semiconductors. Heliyon 9 (2023) e18531 https://doi.org/10.1016/j.heliyon.2023.e18531

  6. Edward Tindibale, Winfred M. Mulwa, Bamidele I. Adetunji. Elastic, anisotropic, lattice dynamics and electronic properties of XNiM and XNi2M (X = Ti, Zr, Hf; M = Sn, Ge, Si): DFT comparison study. PhysicaB: Condensed Matter 665 (2023) 415029
    https://doi.org/10.1016/j.physb.2023.415029
  7. Mauwa M. Namisi, Robinson J. Musembi, Winfred M. Mulwa, Bernard O. Aduda. DFT study of cubic, tetragonal and trigonal structures of KGeCl3 perovskites for photovoltaic applications. Computational Condensed Matter 34 (2023) e00772 https://doi.org/10.1016/j.cocom.2022.e00772
  8. Gabriel Kipkemei Chirchir, Winfred Mueni Mulwa, Bamidele Ibrahim Adetunji. Structural, Electronic and Mechanical Properties of Re Doped FeMnP67A0.33 (A=Ga and Ge): A DFT Study. International Journal of Physics 10 (2022) 70-78 https://doi.org/10.12691/ijp-10-1-6
  9.  Anne Mwende Thirika, Winfred Mueni Mulwa, Nicholus Wambua Makau, Adentuji Bamidele Ibrahim. The Elastic Properties of       

           FemnP1−X Ax (A= Si, Se, Sn, In, x = 0.33) Materials: A DFT Study. Journal of Materials Physics and Chemistry 10 (2022)10-16       

            https://doi.org/10.12691/jmpc-10-1-2

    10. Anne Mwende Thirika, Winfred Mueni Mulwa, Nicholus Wambua Makau, Adentuji Bamidele Ibrahim. Ab Initio Study of Structural and                 Vibrational Properties of Fe2 P-Type Materials for Near - Room - Temperature Refrigeration. International Journal of Physics 10 (2022)                 49-58 https://doi.org/10.12691/ijp-10-1-3

     11.  Otieno Vincent, Winfred Mueni Mulwa, M.S.K. Kirui. Investigation of magnetic properties of FeMnP1-xAx (A = In, Se and Sn, where x =              0.33) by use of GGA functionals Physica B: Physics of Condensed Matter                                                               

             613(2021) 412777.https://doi.org/10.1016/j.physb.2020.412777

    12. Mulwa, W.M. Synthesis, characterization and spectroscopic properties of Cu2+:ZnO, Ce3+:ZnO and Cu2+,Ce3+:ZnO. Appl. Phys.                      A 126, 546 (2020) (pages 1-11). https://doi.org/10.1007/s00339-020-03735-8

     13. Mulwa, W. M. and Dejene, F.B. (2018). as a phosphor material; DFT+U and experimental approach (pgs 49-64). In: Ponnadurai                           Ramasami (Editor). Density Functional Theory Advances in Applications. DE GRUYTER Pub. Ltd., Berlin, Germany. ISBN-13 : 978-                      3110566758.

     14. M. Mulwa, B.F. Dejene, M.O. Onani, C.N.M. Ouma, Effects of Cu2+ doping on the structural, electronic and optical properties of                         ZnAl2O4: A combined experimental and DFT+U study. Journal of Luminescence 184 (2017) 7-16.                                                                          https://doi.org/10.1016/j.jlumin.2016.12.008

    15. Winfred M. Mulwa , Cecil N.M. Ouma, Martin O. Onani , Francis B. Dejene:  Energetic, electronic and optical properties of lanthanide               dopedTiO2: An ab initio LDA+U study:  Journal of Solid State Chemistry 237 (2016) 129–137. https://doi.org/10.1016/j.jssc.2016.02.003

    16. Electronic and Magnetic Structure of Cr doped Rutile and Anatase TiO2; an ab-initio DFT+U study. Winfred M. Mulwa[a], Francis B.                     Dejene[a], Martin Onani[c], Cecil N.M. Ouma[b]* published in South African Institute of Physics 2015 proceedings.

    17. Mulwa, W. M., Dejene, B. F., Onani, M. and Ouma, C. N. M. ‘’A combined Ab initio and Experimental study of Lanthanides and/or                        transition metals doped Oxides’’ Doctor of Physics thesis in Computational and Experimental Physics: May, 2017. (Faculty of Natural and             Agricultural Sciences, Department of Physics, University of the Free State Library, Kestell road Qwaqwa, Phuthaditjhaba, 9866, South                 Africa.

   18. Mulwa, W. M., Makau, N. W. and Amollo, G. O. ‘’Structural and Electronic studies of TiO2, Cr:TiO2 and Nb:TiO2 using Density Functional             Theory’’ Masters of Science (MSc) thesis in Physics (Computational Material Science) December, (School of Science, Department of                   Physics, University of Eldoret Library, P.O Box 1125 – 30100 Eldoret – Kenya).

CONFERENCES & INVITED PRESENTATIONS

Conferences Attended:

  • Materials Science and Solar Energy Network for Eastern and Southern Africa (MSSEESA) (2nd to 3rd December 2021) - KENYA (in person)
  • 7th South African Conference on Photonic Materials in Amanzi Game reserve (27th-31st April 2017)-SOUTH AFRICA.
  • The 61st annual conference of the SA Institute of Physics at University of Cape Town (4th July -8th July 2016)-SOUTH AFRICA.
  • 2015 South African Institute of Physics annual conference in Broadwalk Convention Centre Port Elizabeth. (29th June-3rd July 2015)-SOUTH AFRICA.
  • 6th South African Conference Photonic Materials in Mabula Game Lodge (4th-8th May 2015)-SOUTH AFRICA.
  • 7th International conference of the African Materials Research Society in Addis Ababa, Ethiopia. (8th-13th December 2013)- ETHIOPIA
  • Conference on Material Science and Solar cell technology in United Kenya club, Nairobi, Kenya (28th-29th November 2013)- KENYA

Trainings attended:

Machine Learning in Electronic Structure and Molecular Dynamics 16th May 2022 to 20th May 2022. International Centre for Theoretical Physics (ICTP) – Kigali RWANDA

Workshops Attended:

  • US-Africa Initiative in Electronic Structure, International Centre for Theoretical Physics (ICTP) 14th - 18th June 2021 - Trieste ITALY (online).
  • Career Development Workshop for Women in Physics, International Centre for Theoretical Physics (ICTP) 9th - 13th October 2017 – Trieste ITALY.
  • Workshop on Advanced Oxide Interfaces, International Centre for Theoretical Physics (ICTP) 9th-12th May 2011 – Trieste ITALY.

Events organized:

  • BoltzTraP Scientific workshop: Department of Physics – Egerton University (24th – 25th February 2022)
  • Computational Material Science Week: Department of Physics - Egerton University (18th March 2019 to 22rd March 2019).

Schools Attended:

  1.  Invited speaker in the Virtual Winter School on Computational Chemistry - 5th August 2022

     https://winterschool.cc/africa-calling?view=article&id=3446:africa-calling-speakers

  2. A TUTOR in the 6th African School on 'Electronic Structure Methods and Applications' (ASESMA) 31st May 2021 to 11 June 2021 Trieste ITALY (online).
  3. A MENTOR in the 5th African School on 'Electronic Structure Methods and Applications' (ASESMA)  22 Oct 2018 to 2 Nov 2018 at Addis Ababa Science and Technology University (AASTU).
  4. 4th African School on 'Electronic Structure Methods and Applications' (ASESMA)  13 - 24 June 2016 at University of Ghana- GHANA.
  5. 3rd African School on 'Electronic Structure Methods and Applications' (ASESMA)  19 - 30 January 2015 at University of Witwatersrand-SOUTH AFRICA.
  6. 2nd African School on 'Electronic Structure Methods and Applications' (ASESMA)  28 May - 8 June 2012 at Chepkoilel University College, Moi University, Eldoret,- KENYA.
HONORS, PRIZE AND AWARDS

Research Grants Won

  1. Organization for Women in Science for the Developing World (OWSD) main grant: Amount – USD 49,900 in support of Density Functional Theory investigation of possible Fe2 P-type materials for near-room temperature refrigeration. (July 10, 2019).
  2. KENYA EDUCATION NETWORK (KENET) mini grant; Amount – USD 15,000 in support of Density Functional Theory investigation of possible materials for magnetic refrigeration by use of magnetocaloric effect (May 7, 2019).

  3. Japan Advanced Institute of Science and Technology (JAIST): Award of high-performance computing equipment (February 4, 2019)

Awards Won

  1. Best PhD Student, 6th South African Conference on Photonic Materials in Mabula Game Lodge (4th-8th May 2015)-SOUTH AFRICA.

  2. Principal Investigator (PI), Centre for High Performance Computing (CHPC) Cape Town, South Africa (November 30, 2018)

 

TEACHING AREAS

Undergraduates

  • Quantum Mechanics
  • Solid State Physics
  • Electricity and Magnetism 1&2
  • Atomic Physics
  • Physical optics

Postgraduates

  • Quantum Mechanics
  • Classical Mechanics
  • Statistical Mechanics
  • Mathematical Physics
  • Properties of Materials
  • Advanced LASER Physics
POSTGRADUATE SUPERVISION
MASTERS LEVEL :
  1. GABRIEL KIPKEMEI CHIRCHIR (SM13/14662/18), Thesis Title: ELECTRONIC, STRUCTURAL AND MECHANICAL PROPERTIES OF FeMnP1-xAx (A = Si, Ga, Ge; x= 0.33 and 1-x = 0.66) AS A POTENTIAL MAGNETOCALORIC REFRIGERANT ALLOY. Egerton University Status: Graduated on 29th July 2022.
  2. Otieno Vincent (SM13/14649/18), Thesis Title: INVESTIGATION OF MAGNETIC PROPERTIES OF Fe2MnP-TYPE MATERIAL FOR NEAR ROOM TEMPERATURE REFRIGERATION USING DENSITY FUNCTION THEORY. Egerton University Status: Graduated on 27th October 2023.
  3. Namisi Mwanaidi Mauwa (156/39166/2021) Thesis Title:– AB INITIO STUDY OF LEAD- FREE INORGANIC PEROVSKITE KGeX3 (X=Br and Cl) FOR PHOTOVOLTAIC APPLICATION. University of Nairobi. Status: Graduated on Dec. 16th 2022.
  4. LUDEK EZEKIEL OMBEO OSORO (SM13/13677/19) Research Title: INVESTIGATING THE MAGNETIC PROPERTIES OF FeMnP1-xAx (A= Si, Ga AND Ge; x=0.33 AND 0.66) FOR USE IN REFRIGERATION NEAR-ROOM-TEMPERATURE (Beginning research)     
PhD. LEVEL :
  1. THIRIKA M. ANNE (SD13/16524/18), Research Title: AB INITIO STUDY OF ELASTIC AND VIBRATIONAL PROPERTIES OF Fe2P-TYPE MATERIALS FOR NEAR -ROOM -TEMPERATURE REFRIGERATION. (Egerton University. Status: Graduated on 27th October 2023).
  2. Tindibale Edward (SD13/16559/18), Research Title: A DENSITY FUNCTIONAL THEORY STUDY OF ELASTIC AND THERMOELECTRIC PROPERTIES OF SELECTED HEUSLER ALLOYS. (Egerton University. Status: He has published 2 papers in peer reviewed journals and has submitted his thesis for examination.
  3. NDUNGU JEREFASIO N. (SD13/15523/19), Research Title: A study of the Electrical and Optical properties of Inorganic (SnO2/CsCuI3/CuSCN) Perovskite Thin Films prepared by sol-gel technique for Photovoltaic applications (Beginning research)

Postgraduate Proposal/Thesis Examination

  • I have internally examined several Proposals and theses for Post graduate students in Department of Physics, Egerton University.
OTHER SOCIETIES
  1. Member of: American Physical society (APS)
  2. Member of: USA_AFR1 Electronic Structure initiative
  3. Principal investigator (PI) with: Center for High Perfomance Computing (CHPC) - South Africa
  4. Early Career Fellow with:  Organization for Women in Science for the Developing World (OWSD) - ITALY
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